SCHEMBL4096678

SCHEMBL4096678

COc1cc(CO)ccc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 1/20 0.50
CYP19A1 P11511 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TTR P02766 1/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
CA2 P00918 1/20 0.45
APP P05067 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL31045431 1.00 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL8868058 0.85 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL2888639 0.84 GAA (0.71) ALDH1A1CYP3A4TSHRTDP1GAA
SCHEMBL30541678 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL273470 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL9516946 0.83 ALDH1A1 (0.77) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL19921255 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL2040802 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL5831938 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL28170408 0.81 CA2 (0.68) ALDH1A1CYP3A4CYP19A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179045-A1 LPAR1 ANTAGONISTS AND USES THEREOF CONTINEUM THERAPEUTICS, INC. 2025-06-05 US disclosed
CN-118146115-B Azo compound, azo prodrug compound, pharmaceutical composition, high-energy-ray-responsive lipid molecule, and high-energy-ray-responsive liposome 中科帅天医药(深圳)有限公司 2025-05-13 CN disclosed
CN-118146115-A Azo compound, azo prodrug compound, pharmaceutical composition, high-energy-ray-responsive lipid molecule, and high-energy-ray-responsive liposome 中科帅天医药(深圳)有限公司 2024-06-07 CN disclosed
EP-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 EP disclosed
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 US disclosed
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 US disclosed
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 US disclosed
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2022255425-A1 CONJUGATE OF ANTIBODY AND FUNCTIONAL SUBSTANCE OR SALT OF SAID CONJUGATE, AND COMPOUND FOR USE IN PRODUCTION OF SAID CONJUGATE OR SALT OF SAID COMPOUND 味の素株式会社 2022-12-08 WO disclosed
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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 (2 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-20250179045-A1 LPAR1 ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR3 ALDH1A1 1523/4885CYP3A4 4412/4885TSHR 252/4885
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP ALDH1A1 1060/4885CYP3A4 4060/4885TSHR 3771/4885

“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.