SCHEMBL1823342

SCHEMBL1823342

O=c1c2ccccc2cc(Br)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
HIF1A Q16665 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
AKR1B1 P15121 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK14 Q16539 2/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
GLA P06280 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11179246 0.87 MEN1 (0.49) GPR84ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11181615 0.84 ALDH1A1 (0.43) GPR84ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL5507988 0.84 KDM4E (0.46) GPR84ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL10863551 0.84 KDM4E (0.46) GPR84ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL9765502 0.83 ALDH1A1 (0.52) GPR84ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11465112 0.82 KDM4E (0.42) GPR84ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL184768 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL9765561 0.81 KDM4E (0.44) ALDH1A1CYP1B1CYP1A2CYP2C9CYP2C19
SCHEMBL2300244 0.79 ALDH1A1 (0.56) GPR84ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL9765551 0.79 HPRT1 (0.44) ALDH1A1HSD17B10AKR1B1MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122260-A2 INHIBITORS OF SARS-COV-2 THE TEXAS A&M UNIVERSITY SYSTEM (US) 2023-06-29 WO disclosed
US-10476006-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-11-12 US disclosed
EP-3281936-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO LTD (CN) 2019-10-09 EP disclosed
EP-3281936-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO LTD (CN) 2019-10-09 EP disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
EP-3281936-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME Nichem Fine Technology Co., Ltd. (TW) 2018-02-14 EP disclosed
EP-3281936-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME Nichem Fine Technology Co., Ltd. (TW) 2018-02-14 EP disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
EP-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 EP disclosed
EP-0035711-B1 10-SUBSTITUTED-5-CYANOMETHYLENE-DIBENZO-(A,D)CYCLOHEPTENES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1984-05-09 EP disclosed
US-4447610-A SEDATIVES, TRANQUILIZERS, NEUROLEPTIC AGENTS, MUSCLE RELAXANTS AND ANTIDEPRESSANTS BASF AKTIENGESELLSCHAFT (DE) 1984-05-08 US disclosed
EP-0019866-B1 PROCESS FOR THE PREPARATION OF 10,11-DIHYDRO-5H-DIBENZO (A,D)CYCLOHEPTEN-5,10-IMINES MERCK & CO. INC. (US) 1984-03-14 EP disclosed
US-4399141-A 5-Alkyl or hydroxyalkyl substituted-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imines and anticonvulsant use thereof MERCK & CO., INC. (US) 1983-08-16 US disclosed
EP-0035711-A2 10-Substituted-5-cyanomethylene-dibenzo-(a,d)cycloheptenes, process for their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-09-16 EP disclosed
US-4048223-A 3-Dimethylsulfamoyl-5-[amino(alkyl or alkylidene)]-5H-dibenzo [a,d]cycloheptenes MERCK & CO., INC. (US) 1977-09-13 US disclosed
US-4003915-A ANTICONVULSANTS, PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3981917-A Chemical compounds MERCK & CO., INC. (US) 1976-09-21 US disclosed
US-3978121-A 5H Dibenzo[a,d]cycloheptene derivatives MERCK & CO., INC. (US) 1976-08-31 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 (3 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-10476006-B2 Compound and organic electronic device using the same ESR1, AOC2, PIEZO1 GPR84 4218/4885ALDH1A1 71/4885HSD17B10 2056/4885
US-20180047908-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, AOC2, PIEZO1 GPR84 4218/4885ALDH1A1 71/4885HSD17B10 2056/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 GPR84 3518/4885ALDH1A1 1086/4885HSD17B10 289/4885

“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.