SCHEMBL112394

SCHEMBL112394

C1=C(Cc2ccccc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HPGD P15428 4/20 0.49
EPHX1 P07099 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CXCR3 P49682 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
CALM1 P0DP23 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL111084 1.00 ALDH1A1 (0.49) ALDH1A1HPGDEPHX1MEN1KMT2A
SCHEMBL8206338 1.00 ALDH1A1 (0.49) ALDH1A1HPGDEPHX1MEN1KMT2A
SCHEMBL6806443 1.00 ALDH1A1 (0.49) ALDH1A1HPGDEPHX1MEN1KMT2A
SCHEMBL28561920 0.98 ALDH1A1 (0.48) ALDH1A1HPGDEPHX1MEN1KMT2A
Hydrochloric Acid SCHEMBL3407515 0.98 ALDH1A1 (0.48) ALDH1A1HPGDEPHX1MEN1KMT2A
SCHEMBL1399903 0.98 ALDH1A1 (0.50) ALDH1A1HPGDEPHX1MEN1KMT2A
SCHEMBL2333440 0.92 CALM1 (0.46) ALDH1A1HPGDEPHX1MEN1KMT2A
Diphenylmethane SCHEMBL11047435 0.86 ALDH1A1 (0.55) ALDH1A1HPGDEPHX1MEN1KMT2A
Cyclohexane SCHEMBL21494734 0.86 ALDH1A1 (0.40) ALDH1A1HPGDEPHX1MEN1KMT2A
SCHEMBL23090397 0.84 ALDH1A1 (0.41) ALDH1A1HPGDEPHX1MEN1KMT2A

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

Appears in 2002 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432995-B1 None US claimed
CN-117304161-A Triarylamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-12-29 CN claimed
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP claimed
EP-4106872-A1 COMPOSITIONS AND METHODS FOR ASSESSING THE EFFICACY OF INHIBITORS OF NEUROTRANSMITTER TRANSPORTERS Denovo Biopharma LLC (US) 2022-12-28 EP claimed
CN-115515680-A Compositions and methods for assessing efficacy of neurotransmitter transporter inhibitors 索元生物医药有限公司 2022-12-23 CN claimed
CN-115084414-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2022-09-20 CN claimed
CN-115050915-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2022-09-13 CN claimed
CN-115050900-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2022-09-13 CN claimed
EP-3454944-B1 VOLATILE METABOLITE PROFILES FOR THE DIAGNOSIS AND TREATMENT OF MUCORALES FUNGI BRIGHAM & WOMENS HOSPITAL INC (US) 2022-07-13 EP claimed
CN-114621181-A Star-shaped tetramine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-06-14 CN claimed
EP-0601249-A1 Benzocycloheptene derivative and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1994-06-15 EP claimed
US-5252589-A Inhibits contraction of urinary bladder TANABE SEIKAYU CO., LTD. (JP) 1993-10-12 US claimed
EP-0354078-B1 DERIVATIVES OF BENZOCYCLOHEPTENE, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1993-03-10 EP claimed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP claimed
US-5079245-A 2-trifluoromethyl-7-substitute-6,7,8,9-tetrahydro-[5H]-benzocycloheptenes ADIR ET COMPAGNIE (FR) 1992-01-07 US claimed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US claimed
EP-0354078-A2 Derivatives of benzocycloheptene, method for their preparation and pharmaceutical compositions containing same ADIR ET COMPAGNIE (FR) 1990-02-07 EP claimed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US claimed
US-4154852-A ANTIDEPRESSANTS ROUSSEL UCLAF (FR) 1979-05-15 US claimed
US-4091115-A ANTIDEPRESSANTS ROUSSEL UCLAF (FR) 1978-05-23 US claimed