SCHEMBL16004512

SCHEMBL16004512

CCc1cc2sc(C)cc2s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 1/20 0.37
SELE P16581 4/20 0.35
VCAM1 P19320 4/20 0.35
ICAM1 P05362 3/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CA2 P00918 2/20 0.31
CYP1A2 P05177 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADORA1 P30542 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL13407339 0.92 MAPK1 (0.33) MAPK1HSD17B10SELEVCAM1ICAM1
SCHEMBL9980122 0.87 MAPK1 (0.42) MAPK1HSD17B10SELEVCAM1ICAM1
SCHEMBL13407338 0.85 ICAM1 (0.32) MAPK1HSD17B10SELEVCAM1ICAM1
SCHEMBL13407340 0.85 ESR1 (0.35) MAPK1HSD17B10SELEVCAM1ICAM1
SCHEMBL26816216 0.82 HSD17B10 (0.33) MAPK1HSD17B10ALDH1A1
SCHEMBL10144385 0.80 PKM (0.39) MAPK1HSD17B10SELEVCAM1GAA
SCHEMBL15368418 0.80 MAPK1 (0.34) MAPK1HSD17B10SELEVCAM1ICAM1
SCHEMBL13407341 0.80 ESR1 (0.39)
SCHEMBL13032428 0.79 CYP2A6 (0.45) ALDH1A1CA2PKMNPSR1RXFP1
SCHEMBL119523 0.79 ALDH1A1 (0.42) MAPK1HSD17B10GAAALDH1A1NPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827651-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-11-28 US disclosed
US-11827651-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-11-28 US disclosed
US-20200361975-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-11-19 US disclosed
EP-2621927-B1 SEMICONDUCTORS BASED ON DIKETOPYRROLOPYRROLES BASF SE (DE) 2020-02-12 EP disclosed
EP-3024040-B1 ORGANIC FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, AND ORGANIC SEMICONDUCTOR MATERIAL AND USE APPLICATIONS THEREOF FUJIFILM CORP (JP) 2019-05-08 EP disclosed
EP-3154988-B1 BORYLATED COMPOUNDS UNIV MANCHESTER (GB) 2019-01-09 EP disclosed
US-20170200892-A1 FIELD-EFFECT TRANSISTORS BASED ON MACROSCOPICALLY ORIENTED POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-13 US disclosed
EP-2892977-B9 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2017-05-03 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-20160225999-A1 ORGANIC-INORGANIC HYBRID PHOTOELECTRIC CONVERSION DEVICE INCLUDING CONDUCTIVE ORGANIC SEMICONDUCTOR COMPOUND AND METHOD FOR MANUFACTURING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-04 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 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 (4 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK1 3854/4885HSD17B10 3314/4885SELE 3219/4885
US-20200361975-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SSB, L1CAM, LEF1 MAPK1 2325/4885HSD17B10 4570/4885SELE 43/4885
US-11827651-B2 Organic electroluminescent materials and devices SSB, L1CAM, LEF1 MAPK1 2325/4885HSD17B10 4570/4885SELE 43/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK1 3854/4885HSD17B10 3314/4885SELE 3219/4885

“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.