SCHEMBL15063036

SCHEMBL15063036

c1ccc2cc3cc4cc5c(ccc6cc7cc8ccccc8cc7cc65)cc4cc3cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
HSD17B10 Q99714 6/20 0.68
HIF1A Q16665 2/20 0.68
CYP1B1 Q16678 1/20 0.68
TDP1 Q9NUW8 3/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HBB P68871 1/20 0.55
CYP1A2 P05177 5/20 0.48
HPGD P15428 2/20 0.48
CYP2A6 P11509 5/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
ACHE P22303 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29975167 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL29569154 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL29569227 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL30087026 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL31127473 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL190685 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL25966 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL4850502 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL29418187 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1
SCHEMBL5692997 1.00 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1011 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP claimed
WO-2026106969-A1 NOVEL INHIBITORS OF INTERLEUKIN RECEPTOR- ASSOCIATED KINASE UNIVERSITY OF ROCHESTER (US) 2026-05-21 WO disclosed
US-20260132111-A1 Host-Targeted Pan-Respiratory Antiviral Small Molecule Therapeutics PROSETTA BIOSCIENCES INC (US) 2026-05-14 US disclosed
CN-117120422-B Substituted naphthyl P38 alpha mitogen-activated protein kinase inhibitors GEN1E生命科学公司 2026-05-12 CN disclosed
US-20260125416-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2026-05-07 US disclosed
US-12617814-B2 Neuroactive steroids and methods of use thereof Sage Therapeutics, LLC (US) 2026-05-05 US disclosed
US-20260116912-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2026-04-30 US disclosed
US-20260116885-A1 ION CHANNEL MODULATORS PRAXIS PREC MEDICINES INC (US) 2026-04-30 US disclosed
US-20260116911-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2026-04-30 US disclosed
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS PARDES BIOSCIENCES INC (US) 2026-04-30 US disclosed
CN-109010916-B Moldable formulations containing oxysterol in acellular tissue matrices 华沙整形外科股份有限公司 2022-03-04 CN disclosed
US-11261211-B2 19-NOR neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2022-03-01 US disclosed
US-20220054479-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2022-02-24 US disclosed
US-20220056041-A1 Modified Rhodamine Dye and use Thereof in Biological Assays Life Technologies Corporation 2022-02-24 US disclosed
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-02-22 US disclosed
EP-3946606-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF Insilico Medicine IP Limited (HK) 2022-02-09 EP disclosed
CN-113993846-A Compositions and methods for treating pain and/or inflammation 诺门图姆股份有限公司 2022-01-28 CN disclosed
US-20220024930-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2022-01-27 US disclosed
US-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-11229621-B2 Pharmaceutical compositions of dimethyl fumarate ARBOR PHARMACEUTICALS, LLC (US) 2022-01-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR ALDH1A1 2152/4885HSD17B10 3952/4885HIF1A 1828/4885
US-20260132111-A1 Host-Targeted Pan-Respiratory Antiviral Small Molecule Therapeutics NCOR1, HAVCR2, NR3C1 ALDH1A1 3991/4885HSD17B10 1178/4885HIF1A 1384/4885
US-11229621-B2 Pharmaceutical compositions of dimethyl fumarate FH, SDHB, SDHA ALDH1A1 2404/4885HSD17B10 870/4885HIF1A 750/4885
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS CTRC, CTRL, CTSL ALDH1A1 3293/4885HSD17B10 856/4885HIF1A 3211/4885
US-20220054479-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 383/4885HSD17B10 979/4885HIF1A 2858/4885
US-20220056041-A1 Modified Rhodamine Dye and use Thereof in Biological Assays QTRT1, MRPL21, RRP1B ALDH1A1 1889/4885HSD17B10 4054/4885HIF1A 3982/4885
US-20220024930-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A ALDH1A1 1953/4885HSD17B10 1136/4885HIF1A 3662/4885
US-20260116912-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SCN4A, CHRNA4, CACNG4 ALDH1A1 1606/4885HSD17B10 1500/4885HIF1A 2182/4885
US-12617814-B2 Neuroactive steroids and methods of use thereof HSD3B1, HSD3B2, NR3C2 ALDH1A1 958/4885HSD17B10 383/4885HIF1A 1732/4885
US-20260116911-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SCN4A, CACNG4, SLC6A4 ALDH1A1 1610/4885HSD17B10 1409/4885HIF1A 2156/4885
US-20260116885-A1 ION CHANNEL MODULATORS SCN1B, SCN1A, CACNA1S ALDH1A1 1251/4885HSD17B10 1519/4885HIF1A 2814/4885
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity ALK, BRAF, MUSK ALDH1A1 1334/4885HSD17B10 3285/4885HIF1A 4336/4885
US-11261211-B2 19-NOR neuroactive steroids and methods of use thereof NR3C2, HSD3B1, NR3C1 ALDH1A1 257/4885HSD17B10 279/4885HIF1A 549/4885
US-20260125416-A1 OXYSTEROLS AND METHODS OF USE THEREOF HSD3B1, HSD3B2, HSD11B1 ALDH1A1 451/4885HSD17B10 55/4885HIF1A 1258/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.