SCHEMBL223708

SCHEMBL223708

[O]c1ccc2cccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CYP2A6 P11509 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BCAT2 O15382 1/20 0.43
BACE1 P56817 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL9937968 0.92 ALDH1A1 (0.47) PTGS2ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL60313 0.92 ALDH1A1 (0.48) PTGS2ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL11898487 0.86 ALDH1A1 (0.42) PTGS2ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL10988620 0.77 PTGS2 (0.52) PTGS2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL7182219 0.77 MEN1 (0.44) PTGS2ALDH1A1HPGDMAPK1TDP1
SCHEMBL28317839 0.77 PTGS2 (0.52) PTGS2ALDH1A1BCL2L1SMN1; SMN2CASP3
SCHEMBL314438 0.77 CYP3A4 (0.50) ALDH1A1HSD17B10HPGDMAPK1TDP1
Tannin Pyrogallol SCHEMBL13685561 0.76 ALDH1A1 (0.64) PTGS2ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL30257106 0.76 ALDH1A1 (0.64) PTGS2ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL6754212 0.76 ALDH1A1 (0.55) PTGS2ALDH1A1HSD17B10HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
CN-114728170-B Compounds active on nuclear receptors 纽韦卢森公司 2024-03-01 CN disclosed
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c ACADIA PHARMACEUTICALS INC. (US) 2023-12-12 US disclosed
WO-2023205251-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2023-10-26 WO disclosed
US-11780843-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-10-10 US disclosed
WO-2023169096-A1 POSITIVE ELECTRODE ACTIVE MATERIAL, SECONDARY BATTERY, BATTERY MODULE, BATTERY PACK, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2023-09-14 WO disclosed
WO-2023172187-A1 GLOBULAR NANOSTRUCTURES HAVING AN ANCHORING LAYER SPAGO NANOMEDICAL AB (SE) 2023-09-14 WO disclosed
WO-2023172186-A1 NANOSTRUCTURES AND APPLICATIONS THEREOF SPAGO NANOMEDICAL AB (SE) 2023-09-14 WO disclosed
WO-2023172185-A1 COMPOUNDS FOR COATING OF NANOSTRUCTURES SPAGO NANOMEDICAL AB (SE) 2023-09-14 WO disclosed
EP-1541570-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCE MERCIAN CORPORATION (JP) 2005-06-15 EP disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1508570-A1 NOVEL PHYSIOLGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-02-23 EP disclosed
US-20040229889-A1 HDAC inhibitor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 US disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375472-A1 BENZENE COMPOUND AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP 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 (6 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT PTGS2 2841/4885ALDH1A1 2068/4885HSD17B10 1048/4885
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 PTGS2 4606/4885ALDH1A1 112/4885HSD17B10 499/4885
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c NR3C2, NR2C2, CYP4A22 PTGS2 4248/4885ALDH1A1 3655/4885HSD17B10 1032/4885
US-11780843-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 PTGS2 1271/4885ALDH1A1 1638/4885HSD17B10 499/4885
US-20040229889-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 PTGS2 2990/4885ALDH1A1 401/4885HSD17B10 235/4885
US-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 PTGS2 4516/4885ALDH1A1 1736/4885HSD17B10 1020/4885

“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.