SCHEMBL78317

SCHEMBL78317

O=Cc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TP53 P04637 1/20 0.59
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CASP1 P29466 1/20 0.53
ERN1 O75460 2/20 0.52
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CASP7 P55210 1/20 0.46
HIF1A Q16665 1/20 0.46
MYC P01106 2/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL29953040 1.00 ALDH1A1 (0.59) ALDH1A1TP53CA1CA2TDP1
SCHEMBL78586 0.84 SMN1; SMN2 (0.59) ALDH1A1TP53CA1CA2TDP1
SCHEMBL28833440 0.82 ALDH1A1 (0.57) ALDH1A1TP53CA1CA2TSHR
SCHEMBL11612955 0.80 ALDH1A1 (0.52) ALDH1A1TP53TDP1SMN1; SMN2HSD17B10
SCHEMBL2392328 0.78 ABL1 (0.56) ALDH1A1TDP1ERN1KDM4EHPGD
SCHEMBL31098827 0.78 ABL1 (0.56) ALDH1A1TDP1ERN1KDM4EHPGD
SCHEMBL11531926 0.78 HPGD (0.51) ALDH1A1TP53TDP1SMN1; SMN2ERN1
SCHEMBL2552506 0.78 ALDH1A1 (0.47) ALDH1A1TP53CA1CA2TDP1
SCHEMBL3040058 0.78 ERN1 (0.49) ALDH1A1TP53CA1CA2TDP1
SCHEMBL436351 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11199544-A None JP disclosed
JP-11199543-A None JP disclosed
JP-11246542-A None JP disclosed
WO-2025103502-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN INC. (US) 2025-05-22 WO disclosed
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
EP-4161905-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF Arbutus Biopharma Corporation (CA) 2023-04-12 EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
EP-1539701-A1 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-06-15 EP disclosed
US-20040192612-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-09-30 US disclosed
WO-2004058718-A1 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-07-15 WO disclosed
US-20040072850-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-04-15 US disclosed
WO-2004002961-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-08 WO disclosed
JP-H11246542-A NEW DICHLOROPHTHALIDE AND ITS PRODUCTION, AND PRODUCTION OF 2-FORMYLBENZOIC ACID NUCLEUS CHLORINATION PRODUCTS USING THE SAME NIPPON LIGHT METAL CO LTD 1999-09-14 JP disclosed
JP-H11199544-A PRODUCTION OF BENZENE NUCLEUS-CHLORINATED 2-FORMYLBENZOIC ACID NIPPON LIGHT METAL CO LTD 1999-07-27 JP disclosed
JP-H11199543-A PRODUCTION OF BENZENE NUCLEUS-CHLORINATED 2-FORMYLBENZOIC ACID NIPPON LIGHT METAL CO LTD 1999-07-27 JP disclosed
EP-0576475-B1 ISOINDOLES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO SPA (IT) 1995-09-20 EP disclosed
US-5376673-A Vasodilation ITALFARMACO S.P.A. (IT) 1994-12-27 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 (4 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-20040072850-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP2 ALDH1A1 862/4885TP53 282/4885CA1 661/4885
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 3175/4885TP53 4614/4885CA1 1964/4885
US-20040192612-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP5 ALDH1A1 2450/4885TP53 4050/4885CA1 321/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 ALDH1A1 3447/4885TP53 402/4885CA1 4756/4885

“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.