SCHEMBL288665

SCHEMBL288665

CCC(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.49
AKR1C2 P52895 9/20 0.49
AKR1C1 Q04828 1/20 0.49
PTGS1 P23219 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
CTSA P10619 1/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL21808436 1.00 AKR1C3 (0.49) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
Trifluoroacetic Acid SCHEMBL28243237 0.91 AKR1C3 (0.47) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL6298061 0.87 ALDH1A1 (0.46) ALDH1A1MAPTHTTNPSR1CPN1
SCHEMBL11109035 0.85 PARP1 (0.49) ALDH1A1MAPTHTTNPSR1CTSA
SCHEMBL5021484 0.84 CPN1 (0.46) ALDH1A1CPN1CPB2CTSAGAA
SCHEMBL1492705 0.83 CTSK (0.46) ALDH1A1CPN1CPB2CTSA
SCHEMBL27996917 0.83 CPN1 (0.49) ALDH1A1CPN1CPB2CTSAGAA
SCHEMBL15270484 0.82 MMP8 (0.44) ALDH1A1MAPTCTSAGAA
SCHEMBL7112200 0.82 ALDH1A1 (0.49) ALDH1A1MAPTHTTNPSR1GAA
SCHEMBL1801772 0.81 AKR1C3 (0.52) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427417-B1 SALTS OF 3-PENTYLPHENYLACETIC ACID AND PHARMACEUTICAL USES THEREOF PROMETIC BIOSCIENCES INC (CA) 2013-10-09 EP claimed
US-20120095102-A1 Salts of 3-Pentylphenylacetic Acid and Pharmaceutical Uses Thereof PROMETIC PHARMA SMT LIMITED (GB) 2012-04-19 US claimed
EP-2427417-A1 SALTS OF 3-PENTYLPHENYLACETIC ACID AND PHARMACEUTICAL USES THEREOF ProMetic BioSciences Inc. (CA) 2012-03-14 EP claimed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
US-12110299-B2 Thiazole derivatives and pharmaceutically acceptable salts thereof YUNGJIN PHARM. CO., LTD. (KR) 2024-10-08 US disclosed
EP-3853225-B1 N-(5-(3-(1-((THIAZOL-2-YL)AMINO)-1-OXOPROPAN-2-YL)PHENYL)PYRIDIN-2-YL)ACRYLAMIDE DERIVATIVES AS CDK7 INHIBITORS FOR THE TREATMENT OF CANCER YUNGJIN PHARMACEUTICAL CO LTD (KR) 2023-11-29 EP disclosed
US-20230125280-A1 TETRAHYDROISOQUINOLINE DERIVATIVES CYTOKINETICS, INCORPORATED 2023-04-27 US disclosed
US-11479561-B2 Tetrahydroisoquinoline derivatives CYTOKINETICS, INCORPORATED (US) 2022-10-25 US disclosed
EP-4032877-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Cytokinetics, Incorporated (US) 2022-07-27 EP disclosed
EP-3413892-B1 TETRAHYDROISOQUINOLINE DERIVATIVES CYTOKINETICS INC (US) 2022-04-20 EP disclosed
EP-1339678-A2 EP4 RECEPTOR SELECTIVE AGONISTS IN THE TREATMENT OF OSTEOPOROSIS Pfizer Products Inc. (US) 2003-09-03 EP disclosed
US-20030149086-A1 EP4 receptor selective agonists in the treatment of osteoporosis CAMERON KIMBERLY O (US) 2003-08-07 US disclosed
US-6552067-B2 For therapy of osteoporosis, frailty, an osteoporotic fracture, a bone defect, childhood idiopathic bone loss, alveolar bone loss, mandibular bone loss, bone fracture, osteotomy, bone loss associated with periodontitis PFIZER INC. 2003-04-22 US disclosed
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 EP disclosed
US-20020065308-A1 EP4 receptor selective agonists in the treatment of osteoporosis LOTUS PHARMACEUTICAL CO., LTD. (JP) 2002-05-30 US disclosed
WO-2002042268-A2 EP4 RECEPTOR SELECTIVE AGONISTS IN THE TREATMENT OF OSTEOPOROSIS PFIZER PRODUCTS INC. (US) 2002-05-30 WO disclosed
US-6025388-A Method for inhibiting gene expression promoted by AP1 protein with RARβ selective retinoids and method for treatment of diseases and conditions with such retinoids ALLERGAN SALES, INC. (US) 2000-02-15 US disclosed
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed
US-5489584-A ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS; TREATING SKIN DISORDER, CARDIOVASCULAR DISORDER ALLERGAN, INC. (US) 1996-02-06 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 (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-20120095102-A1 Salts of 3-Pentylphenylacetic Acid and Pharmaceutical Uses Thereof GLS, REN, PTP4A3 AKR1C3 42/4885AKR1C2 164/4885AKR1C1 309/4885
US-20230125280-A1 TETRAHYDROISOQUINOLINE DERIVATIVES TNNC1, TNNI3, TNNT2 AKR1C3 3072/4885AKR1C2 2688/4885AKR1C1 2551/4885
US-12110299-B2 Thiazole derivatives and pharmaceutically acceptable salts thereof CDKL1, CDK4, CDKL3 AKR1C3 2082/4885AKR1C2 1653/4885AKR1C1 1874/4885
US-20030149086-A1 EP4 receptor selective agonists in the treatment of osteoporosis PTGER4, PTGER1, PTGER2 AKR1C3 1469/4885AKR1C2 2174/4885AKR1C1 2151/4885
US-11479561-B2 Tetrahydroisoquinoline derivatives TNNC1, TNNI3, TNNT2 AKR1C3 3072/4885AKR1C2 2688/4885AKR1C1 2551/4885
US-20020065308-A1 EP4 receptor selective agonists in the treatment of osteoporosis PTGER4, PTGER1, PTGER2 AKR1C3 1469/4885AKR1C2 2174/4885AKR1C1 2151/4885

“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.