SCHEMBL4156310

SCHEMBL4156310

Clc1[c]ccc(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 2/20 0.44
AKR1C3 P42330 1/20 0.40
MITF O75030 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MAOA P21397 2/20 0.39
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GSTP1 P09211 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL901182 0.84 MAOA (0.47) LTA4HMAOBALDH1A1MAOACYP1A2
SCHEMBL7700570 0.82 GSTP1 (0.44) LTA4HTSHRMAOANR1H2BAX
SCHEMBL21630308 0.81 SOS1 (0.38)
SCHEMBL21630390 0.81 LTA4H (0.41) LTA4HMAOBMITFALDH1A1MAOA
SCHEMBL28575004 0.81 S1PR2 (0.34) LTA4HTSHRCYP3A4SMN1; SMN2
SCHEMBL21630305 0.81 TEAD4 (0.44) ALDH1A1POLBHTTACHEMEN1
SCHEMBL21630310 0.81 MAPT (0.44) LTA4HTSHRMAOBALDH1A1MAOA
SCHEMBL8126363 0.79 LMNA (0.61) LTA4HALDH1A1HTTSMN1; SMN2
SCHEMBL1451634 0.78 LTA4H (0.50) LTA4HTSHRMAOBAKR1C3MITF
SCHEMBL7689247 0.77 LTA4H (0.55) LTA4HTSHRMAOBAKR1C3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118286-A1 Heterobicyclic Acrylamides BAYER CROPSCIENCE AG (DE) 2009-05-07 US claimed
CN-101171255-A Heterobicyclic acrylamides BAYER CROPSCIENCE AG (DE) 2008-04-30 CN claimed
EP-1858899-A1 HETEROBICYCLIC ACRYLAMIDES Bayer CropScience AG (DE) 2007-11-28 EP claimed
WO-2006094666-A1 HETEROBICYCLIC ACRYLAMIDES BAYER CROPSCIENCE AG (DE) 2006-09-14 WO claimed
EP-0833630-A4 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN INC (US) 1998-09-02 EP claimed
EP-0833630-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE Sugen, Inc. (US) 1998-04-08 EP claimed
WO-1996040110-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN, INC. (US) 1996-12-19 WO claimed
CN-114920744-B Non-covalent BTK kinase inhibitor and biological application thereof 中国药科大学 2024-05-07 CN disclosed
CN-117500806-A Synthesis of BTK inhibitors and intermediates thereof 默沙东有限责任公司 2024-02-02 CN disclosed
CN-113307811-B Tetrahydropyranyl amino-pyrrolopyrimidinones and methods of use thereof 艾科尔公司 2023-11-14 CN disclosed
CN-117042769-A Substituted pyrrolopyrimidines and pyrazolopyrimidines as Bruton's Tyrosine Kinase (BTK) degrading agents 冰洲石生物科技公司 2023-11-10 CN disclosed
CN-114008042-B Substituted pyrrolo [2,3-b ] pyridine and pyrazolo [3,4-b ] pyridine derivatives as protein kinase inhibitors 重庆复尚源创医药技术有限公司 2023-10-03 CN disclosed
CN-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
WO-2006094666-A1 HETEROBICYCLIC ACRYLAMIDES BAYER CROPSCIENCE AG (DE) 2006-09-14 WO disclosed
EP-0833630-A4 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN INC (US) 1998-09-02 EP disclosed
CN-1187814-A (hetero) aryloxy-, -thio-and-aminocrotonates, preparation and use thereof BASF AG (DE) 1998-07-15 CN disclosed
EP-0833630-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE Sugen, Inc. (US) 1998-04-08 EP disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
WO-1996040110-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN, INC. (US) 1996-12-19 WO disclosed
CN-1075962-A DIOXOLANE DERIVATIVES CIBA GEIGY AG (CH) 1993-09-08 CN 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-20090118286-A1 Heterobicyclic Acrylamides CCNB1, C3AR1, CCNA2 LTA4H 1390/4885TSHR 982/4885MAOB 1732/4885

“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.