SCHEMBL3334839

SCHEMBL3334839

c1ccc(COn2ccc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CDK4 P11802 4/20 0.42
CCND1 P24385 4/20 0.42
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.38
HTR6 P50406 1/20 0.38
IDO1 P14902 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29617408 1.00 TSHR (0.46) TSHRALDH1A1CDK4CCND1KMT2A
Cyclohexane SCHEMBL3204446 0.95 TSHR (0.43) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL4949474 0.82 LMNA (0.39) TSHRALDH1A1KMT2AMEN1ALOX5
SCHEMBL28696512 0.82 CDK4 (0.37) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL29493186 0.80 HTR2A (0.39) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL4954024 0.80 MAOB (0.41) TSHRALDH1A1ALOX15ALOX5HTR6
SCHEMBL3576716 0.79 CDK4 (0.47) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL30233726 0.79 CDK4 (0.47) TSHRALDH1A1CDK4CCND1KMT2A
SCHEMBL4955326 0.78 SRC (0.41) TSHRALDH1A1
SCHEMBL4952930 0.78 ROCK1 (0.39) TSHRALDH1A1ALOX5IDO1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525197-A1 METHOD FOR PRODUCING HIGHLY PURE HYDROXY INDOLYL GLYOXYLIC ACID AMIDES Elbion AG (DE) 2005-04-27 EP claimed
WO-2005002337-A1 DISINFECTANT COMPOSITIONS AND METHODS VIRTUAL DRUG DEVELOPMENT, INC. (US) 2005-01-13 WO claimed
WO-2004013127-A1 METHOD FOR PRODUCING HIGHLY PURE HYDROXY INDOLYL GLYOXYLIC ACID AMIDES ELBION AG (DE) 2004-02-12 WO claimed
CN-113784962-B Azepino-indoles and other heterocycles for treating brain disorders 加利福尼亚大学董事会 2025-04-25 CN disclosed
US-20250051276-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2025-02-13 US disclosed
CN-117586645-A Coloring composition containing dioxazine pigment and color filter 大塚化学株式会社 2024-02-23 CN disclosed
WO-2023137518-A1 PLATINUM COMPLEXES Western Sydney University (AU) 2023-07-27 WO disclosed
WO-2023114238-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
CN-115490628-A Preparation method of difluoroethanol compound 五邑大学 2022-12-20 CN disclosed
CN-115340484-A Benzyloxy indole branched-chain acid derivative and its preparation method and use 上海美迪西生物医药股份有限公司 2022-11-15 CN disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 EP disclosed
EP-0802184-B1 N-Benzyl-2-phenylindoles as estrogenic agents WYETH CORP (US) 2002-06-19 EP disclosed
EP-1080073-A1 COMPOSITIONS COMPRISING 2-PHENYL-INDOLE COMPOUNDS AND ESTROGEN FORMULATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-03-07 EP disclosed
WO-2000064917-A2 SYNTHETIC INDOLOCARBAZOLE REGIOISOMERS AND USES THEREOF ADVANCED LIFE SCIENCES INC. (US) 2000-11-02 WO disclosed
WO-1999059969-A1 COMPOSITIONS COMPRISING 2-PHENYL-INDOLE COMPOUNDS AND ESTROGEN FORMULATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-25 WO disclosed
EP-0802184-A1 N-Benzyl-2-phenylindoles as estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-22 EP disclosed
WO-1994025012-A2 MEDICAMENTS FOR TREATMENT OF MIGRAINE, EPILEPSY AND FEEDING DISORDERS SMITHKLINE BEECHAM PLC (GB) 1994-11-10 WO disclosed
EP-0397060-A2 Maleinimide derivatives and their use as medicines GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-11-14 EP disclosed
EP-0015523-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR MEDICAMENTS Dr. Karl Thomae GmbH (DE) 1982-10-13 EP disclosed
EP-0015523-A1 Indole derivatives, their preparation and their use for medicaments Dr. Karl Thomae GmbH (DE) 1980-09-17 EP 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 (1 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-20250051276-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF GRIN2A, GRIN2C, GAP43 TSHR 2703/4885ALDH1A1 540/4885CDK4 1511/4885

“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.