SCHEMBL6503415

SCHEMBL6503415

CC(Cc1ccccc1)OC(=O)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LTA4H P09960 2/20 0.49
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSH P09668 1/20 0.48
CYP1A2 P05177 1/20 0.46
MME P08473 3/20 0.45
ACE P12821 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL9696685 0.93 TSHR (0.55) TSHRNPC1RAB9ACTSKCTSL
Potassium Ion SCHEMBL28727524 0.85 TSHR (0.47) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL4965733 0.84 TSHR (0.53) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL22474284 0.82 TSHR (0.51) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL29242751 0.82 TSHR (0.51) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL9831570 0.82 TSHR (0.51) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL10658684 0.81 NPC1 (0.55) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL16521417 0.81 TDP1 (0.50) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL6826673 0.81 TSHR (0.53) TSHRNPC1RAB9ACTSKCTSL
SCHEMBL1838248 0.81 SLC6A2 (0.54) TSHRNPC1RAB9ACTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101027092-A Non-absorbent and absorbent articles for inhibiting the production of exoproteins KIMBERLY CLARK CO (US) 2007-08-29 CN claimed
CN-105980345-B Method for continuously producing ketomalonic acid compound using flow reactor 组合化学工业株式会社 2019-12-20 CN disclosed
CN-104837637-B Fabric for digital printing pre-processes object 路博润先进材料公司 2018-09-25 CN disclosed
EP-2476682-B1 8-OXODIHYDROPURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-04-26 EP disclosed
CN-102656172-B 8-oxodihydropurine derivatives DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2016-03-23 CN disclosed
CN-104837637-A Fabric pretreatment for digital printing LUBRIZOL ADVANCED MAT INC 2015-08-12 CN disclosed
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 US disclosed
CN-101610764-B Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LTD 2012-11-21 CN disclosed
CN-102656172-A 8-oxodihydropurine derivatives DAINIPPON SUMITOMO PHARMA CO 2012-09-05 CN disclosed
CN-101967146-A Ep4 receptor inhibitors to treat rheumatoid arthritis PRIZER JAPAN INC 2011-02-09 CN disclosed
CN-101610764-A As EP 4The heterocyclic carbamate derivatives of receptor stimulating agent GLAXO GROUP LTD (GB) 2009-12-23 CN disclosed
CN-101027092-A Non-absorbent and absorbent articles for inhibiting the production of exoproteins KIMBERLY CLARK CO (US) 2007-08-29 CN disclosed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
CN-1476448-A Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ������ҩ�����޹�˾ 2004-02-18 CN disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 WO disclosed
EP-0489933-A1 BILE ALCOHOL AND DRUG CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA CO., LTD. (JP) 1992-06-17 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 (1 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 TSHR 1037/4885NPC1 791/4885RAB9A 2807/4885

“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.