SCHEMBL2221

SCHEMBL2221

O=C(O)C1(c2ccc(Br)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.55
APP P05067 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
HDAC1 Q13547 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1C4 P17516 1/20 0.43
TET3 O43151 2/20 0.41
FBXL19 Q6PCT2 2/20 0.41
CXXC5 Q7LFL8 2/20 0.41
KDM2B Q8NHM5 2/20 0.41
CXXC4 Q9H2H0 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3910628 0.98 AKR1C1 (0.53) AKR1C1APPCYP2C19CYP3A4CYP2C9
Water SCHEMBL3910626 0.96 AKR1C1 (0.52) AKR1C1APPCYP2C19CYP3A4CYP2C9
SCHEMBL9966557 0.92 AKR1C1 (0.68) AKR1C1KMT2AMEN1TSHRHDAC1
SCHEMBL1492737 0.92 AKR1C1 (0.62) AKR1C1APPCYP2C19CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL28915897 0.90 AKR1C1 (0.66) AKR1C1KMT2AMEN1TSHRHDAC1
SCHEMBL2384832 0.90 AKR1C1 (0.66) AKR1C1KMT2AMEN1TSHRHDAC1
SCHEMBL11097640 0.87 AKR1C1 (0.47) AKR1C1APPCYP2C19CYP3A4CYP2C9
SCHEMBL3032228 0.87 AKR1C1 (0.47) AKR1C1KMT2AMEN1TSHRHDAC1
SCHEMBL29134935 0.87 AKR1C1 (0.47) AKR1C1APPCYP2C19CYP3A4CYP2C9
SCHEMBL2325209 0.87 HDAC1 (0.55) AKR1C1CYP2C19CYP2C9KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617762-B2 Carboxy derivatives with antiinflamatory properties SITRYX THERAPEUTICS LIMITED (GB) 2026-05-05 US disclosed
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2026-04-16 US disclosed
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
EP-4081511-B3 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2026-03-04 EP disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2025-10-07 US disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-08-05 US disclosed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
US-6380256-B1 FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2002-04-30 US disclosed
US-6369225-B1 ENZYME INHIBITORS ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 WO disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 US disclosed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 WO disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 US disclosed
US-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 US disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 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 (7 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-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor LPAR1, LPAR2, LPAR4 AKR1C1 604/4885APP 2407/4885CYP2C19 2309/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 AKR1C1 289/4885APP 4578/4885CYP2C19 735/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK AKR1C1 804/4885APP 4607/4885CYP2C19 622/4885
US-12617762-B2 Carboxy derivatives with antiinflamatory properties CCR1, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 AKR1C1 238/4885APP 4848/4885CYP2C19 3664/4885
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives CYCS, CYP2E1, CYP1A1 AKR1C1 1131/4885APP 3125/4885CYP2C19 16/4885
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CBR3, CYCS, CBR1 AKR1C1 579/4885APP 4859/4885CYP2C19 886/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R AKR1C1 239/4885APP 4415/4885CYP2C19 880/4885

“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.