SCHEMBL2961633

SCHEMBL2961633

COc1cc(C(=O)O)ccc1C=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA4 P22748 2/20 0.65
CA6 P23280 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA14 Q9ULX7 2/20 0.65
TPMT P51580 1/20 0.65
HTT P42858 2/20 0.61
TSHR P16473 4/20 0.60
ALDH1A1 P00352 5/20 0.58
ERN1 O75460 2/20 0.57
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
TTR P02766 2/20 0.53
PKM P14618 2/20 0.52
CA3 P07451 1/20 0.52
CA5A P35218 1/20 0.52

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
SCHEMBL29956605 0.87 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL1987664 0.87 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL2636881 0.84 CXCL12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL2636878 0.84 CXCL12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL27549459 0.84 ERN1 (0.58) CA12CA1CA2CA4CA6
SCHEMBL644569 0.84 MAPT (0.63) CA12CA1CA2CA7CA9
SCHEMBL2821711 0.84 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL29160653 0.84 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL8127502 0.83 CA12 (0.61) CA12CA1CA2CA4CA6
SCHEMBL12449716 0.83 CA12 (0.61) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580016-A Nicotinamide ribochlorate-based salicylaldehyde functional molecule hybridized natural brucite-based composite powder, and preparation method and application thereof 江西广源化工有限责任公司 2024-09-03 CN claimed
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
CN-118878461-A PD-1/PD-L1 inhibitors 吉利德科学公司 2024-11-01 CN disclosed
CN-118580016-A Nicotinamide ribochlorate-based salicylaldehyde functional molecule hybridized natural brucite-based composite powder, and preparation method and application thereof 江西广源化工有限责任公司 2024-09-03 CN disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
EP-3612525-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2021-10-27 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
EP-3612525-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2020-02-26 EP disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN disclosed
WO-2018195321-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2018-10-25 WO disclosed
EP-1445249-B1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-07 EP disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
EP-1893577-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-03-05 EP disclosed
WO-2006138218-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-12-28 WO disclosed
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SHUNICHI SHIOZAWA (JP) 2005-05-26 US disclosed
EP-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1998000750-A1 PROCESS FOR PRODUCING LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY DEVICE WITH THE USE OF THE SAME HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) 1998-01-08 WO disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO 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 (3 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CA12 1634/4885CA1 2682/4885CA2 3721/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 CA12 2207/4885CA1 2733/4885CA2 3359/4885
US-20050113400-A1 Inhibitors of transcription factor AP-1; autoimmune diseases; rheumatoid arthritis; high safety and excellent pharmacokinetics in vivo SP1, AP1G1, JUN CA12 4777/4885CA1 3608/4885CA2 3554/4885

“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.