SCHEMBL1494092

SCHEMBL1494092

CC(C)c1cc(O)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.46
GABRB1 P18505 4/20 0.46
GABRB2 P47870 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2B P41595 2/20 0.39
CYP3A4 P08684 2/20 0.39
FAAH O00519 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL31733281 0.83 ADRB1 (0.40) GABRA1GABRB1LMNACYP1A2SLC6A2
SCHEMBL27243340 0.82 GABRA1 (0.46) GABRA1GABRB1GABRB2LMNACYP1A2
SCHEMBL30810150 0.82 GABRA1 (0.46) GABRA1GABRB1GABRB2LMNACYP1A2
SCHEMBL30763516 0.78 LMNA (0.48) GABRA1GABRB1GABRB2LMNACYP1A2
SCHEMBL3957742 0.78 LMNA (0.48) GABRA1GABRB1GABRB2LMNACYP1A2
SCHEMBL16973495 0.78 CYP3A4 (0.42) LMNACYP1A2CA1CA2CYP3A4
SCHEMBL25316003 0.77 PDE3B (0.36) LMNACYP1A2CA2CYP3A4TRPA1
SCHEMBL2527710 0.77 MAOB (0.36) LMNACA1CA2ALOX15ALDH1A1
SCHEMBL11421554 0.76 ANPEP (0.47) GABRA1GABRB1GABRB2LMNACYP1A2
SCHEMBL12263566 0.76 GABRA1 (0.50) GABRA1GABRB1ALOX15ALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN claimed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US claimed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO claimed
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN disclosed
US-20250145637-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2025-05-08 US disclosed
US-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2025-02-27 US disclosed
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2025-01-23 US disclosed
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH Afferent Pharmaceuticals, Inc. (US) 2024-08-29 US disclosed
EP-4385989-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2024-05-16 US disclosed
CN-117597341-A Sulfonamide derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-02-23 CN disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6369225-B1 ENZYME INHIBITORS 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 (5 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-20250066309-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 GABRA1 1792/4885GABRB1 1657/4885GABRB2 1899/4885
US-20250025462-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 GABRA1 1310/4885GABRB1 1499/4885GABRB2 1713/4885
US-20240158356-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 GABRA1 1792/4885GABRB1 1657/4885GABRB2 1899/4885
US-20250145637-A1 SULFONAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SULT2A1, KAT8, TST GABRA1 2583/4885GABRB1 3234/4885GABRB2 3591/4885
US-20240285620-A1 DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF COUGH P2RX3, P2RX2, P2RX5 GABRA1 688/4885GABRB1 677/4885GABRB2 698/4885

“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.