SCHEMBL1015345

SCHEMBL1015345

COc1cc(C(=O)O)ccc1OC(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.73
CA1 P00915 2/20 0.73
CA2 P00918 2/20 0.73
CA4 P22748 2/20 0.73
CA6 P23280 2/20 0.73
CA7 P43166 2/20 0.73
CA9 Q16790 2/20 0.73
CA14 Q9ULX7 2/20 0.73
TPMT P51580 1/20 0.73
TSHR P16473 4/20 0.63
TTR P02766 2/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 3/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 3/20 0.54

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
SCHEMBL3924278 0.93 CA12 (0.73) CA12CA1CA2CA4CA6
SCHEMBL3545163 0.91 KMT2A (0.58) CA12CA1CA2CA4CA6
SCHEMBL1554712 0.88 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL5466423 0.86 ALDH1A1 (0.56) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL29386353 0.85 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL976032 0.85 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL114848 0.85 CA12 (1.00) CA12CA1CA2CA4CA6
SCHEMBL25139437 0.85 HIF1A (0.53) CA12CA1CA2CA4CA6
SCHEMBL24812339 0.85 MAPK1 (0.62) CA12CA1CA2CA4CA6
SCHEMBL6568018 0.85 MAPT (0.66) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12053459-B2 CDK2 inhibitors and methods of using the same CEDILLA THERAPEUTICS, INC. (MA) 2024-08-06 US disclosed
EP-4358954-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2024-05-01 EP disclosed
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
US-20220402908-A1 CXCR6 INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute 2022-12-22 US disclosed
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
WO-2012106499-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 WO disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
US-7781373-B2 Stabilized dyes for thermal dye transfer materials EASTMAN KODAK COMPANY (US) 2010-08-24 US disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
US-20080182212-A1 STABILIZED DYES FOR THERMAL DYE TRANSFER MATERIALS ENCINA PRIVATE CREDIT SPV 2, LLC, AS COLLATERAL AGENT 2008-07-31 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 (7 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 CA12 3483/4885CA1 3853/4885CA2 1833/4885
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS MAVS, SARS1, ZC3HAV1 CA12 3612/4885CA1 4798/4885CA2 3446/4885
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 CA12 3738/4885CA1 3559/4885CA2 2753/4885
US-20220402908-A1 CXCR6 INHIBITORS AND METHODS OF USE CXCR6, CXCR1, CXCR5 CA12 1476/4885CA1 2119/4885CA2 2409/4885
US-12053459-B2 CDK2 inhibitors and methods of using the same CDK2, CDK20, CDK2AP2 CA12 3738/4885CA1 3559/4885CA2 2753/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 CA12 4097/4885CA1 1844/4885CA2 239/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 CA12 4854/4885CA1 4779/4885CA2 4793/4885

“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.