SCHEMBL981933

SCHEMBL981933

CCCCCc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.61
TSHR P16473 1/20 0.61
RARB P10826 6/20 0.56
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
RARA P10276 1/20 0.54
MTOR P42345 1/20 0.54
KDM4E B2RXH2 3/20 0.52
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL983507 0.98 HSD17B10 (0.64) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL5542220 0.98 HSD17B10 (0.64) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL3090093 0.98 HSD17B10 (0.64) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL17022435 0.98 HSD17B10 (0.64) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL5544425 0.98 HSD17B10 (0.64) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL28518716 0.98 HSD17B10 (0.64) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL6754529 0.94 RARB (0.55) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL980959 0.94 RARB (0.55) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL58197 0.87 ESR1 (0.54) HSD17B10TSHRRARBALDH1A1KDM4E
SCHEMBL31549867 0.87 RARB (0.68) HSD17B10TSHRRARBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020081840-A1 METHODS OF TREATING CANCER WITH ARYL HYDROCARBON RECEPTOR ANTAGONISTS Magenta Therapeutics Inc. (US) 2020-04-23 WO claimed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed
EP-0107116-B1 DICYANOBENZENES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-08-27 EP claimed
EP-3874027-A2 METHODS FOR HEMATOPOIETIC STEM AND PROGENITOR CELL TRANSPLANT THERAPY Magenta Therapeutics, Inc. (US) 2021-09-08 EP disclosed
WO-2020081840-A1 METHODS OF TREATING CANCER WITH ARYL HYDROCARBON RECEPTOR ANTAGONISTS Magenta Therapeutics Inc. (US) 2020-04-23 WO disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2513125-A1 METAL COMPLEXES COMPRISING DIAZABENZIMIDAZOL CARBENE-LIGANDS AND THE USE THEREOF IN OLEDS BASF SE (DE) 2012-10-24 EP disclosed
EP-0120717-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE DYES MITSUBISHI KASEI CORPORATION (JP) 1988-12-07 EP disclosed
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 US disclosed
US-4528113-A Anthraquinone dye and liquid crystal composition containing the dye MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-07-09 US disclosed
US-4507221-A Anthraquinone dye and liquid crystal composition containing the same MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-03-26 US disclosed
EP-0120717-A2 Anthraquinone dyes and liquid crystal compositions containing the dyes MITSUBISHI KASEI CORPORATION (JP) 1984-10-03 EP disclosed
EP-0120463-A2 Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1984-10-03 EP disclosed
EP-0098736-A2 Anthraquinone dyes and liquid crystal compositions containing the dyes MITSUBISHI KASEI CORPORATION (JP) 1984-01-18 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 HSD17B10 2221/4885TSHR 478/4885RARB 4564/4885

“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.