SCHEMBL1756450

SCHEMBL1756450

O=C1CCC(=O)c2cc3ccccc3cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.59
CASP7 P55210 3/20 0.59
HSD17B10 Q99714 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
MPI P34949 1/20 0.59
HTT P42858 1/20 0.59
GSTP1 P09211 1/20 0.43
CYP2A6 P11509 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL6940637 0.86 CASP1 (0.52) CASP1CASP7HSD17B10ALDH1A1TP53
SCHEMBL30402712 0.86 CASP1 (0.52) CASP1CASP7HSD17B10ALDH1A1TP53
SCHEMBL28945806 0.84 ALDH1A1 (0.48) CASP1CASP7HSD17B10ALDH1A1TP53
SCHEMBL182339 0.84 ALDH1A1 (0.48) CASP1CASP7HSD17B10ALDH1A1TP53
Methacrylic Acid SCHEMBL17448107 0.81 ALDH1A1 (0.44) CASP1CASP7HSD17B10ALDH1A1TP53
SCHEMBL2604369 0.80 ALDH1A1 (0.46) CASP1CASP7HSD17B10ALDH1A1TP53
SCHEMBL31643666 0.78 MAOA (0.59) CASP1CASP7HSD17B10ALDH1A1TP53
SCHEMBL7586133 0.78 MAOA (0.59) CASP1CASP7HSD17B10ALDH1A1TP53
SCHEMBL28033678 0.78 GRM5 (0.46) CASP1CASP7HSD17B10ALDH1A1TP53
SCHEMBL29385474 0.77 MAOA (0.56) CASP1CASP7HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220029188-A1 REDOX FLOW BATTERY IP2IPO INNOVATIONS LIMITED (GB) 2022-01-27 US disclosed
CN-109896944-B Method for synthesizing 1, 4-naphthoquinone cyclopropane compound 浙江工业大学上虞研究院有限公司 2021-08-24 CN disclosed
US-9244350-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-26 US disclosed
EP-1880429-B1 POLYACENE AND SEMICONDUCTOR FORMULATION MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
EP-1880429-B1 POLYACENE AND SEMICONDUCTOR FORMULATION MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
US-7935960-B2 organic field effect transistors; introducing asymmetry into the polyacene derivative affects its solid-state order; combining with organic binder resin results in little or no reduction in charge mobility of the polyacene, even an increase in some instances MERCK PATENT GMBH (DE) 2011-05-03 US disclosed
US-7935960-B2 organic field effect transistors; introducing asymmetry into the polyacene derivative affects its solid-state order; combining with organic binder resin results in little or no reduction in charge mobility of the polyacene, even an increase in some instances MERCK PATENT GMBH (DE) 2011-05-03 US disclosed
US-7935960-B2 organic field effect transistors; introducing asymmetry into the polyacene derivative affects its solid-state order; combining with organic binder resin results in little or no reduction in charge mobility of the polyacene, even an increase in some instances MERCK PATENT GMBH (DE) 2011-05-03 US disclosed
US-20090107539-A1 PHOTOELECTRIC DEVICE ADEKA CORPORATION (JP) 2009-04-30 US disclosed
EP-1986247-A1 Polyacene and semiconductor Formulation MERCK PATENT GmbH (DE) 2008-10-29 EP disclosed
EP-1986247-A1 Polyacene and semiconductor Formulation MERCK PATENT GmbH (DE) 2008-10-29 EP disclosed
US-20080191199-A1 Polyacene and Semiconductor Formulation FLEXENABLE TECHNOLOGY LIMITED (GB) 2008-08-14 US disclosed
US-20080191199-A1 Polyacene and Semiconductor Formulation FLEXENABLE TECHNOLOGY LIMITED (GB) 2008-08-14 US disclosed
US-20080191199-A1 Polyacene and Semiconductor Formulation FLEXENABLE TECHNOLOGY LIMITED (GB) 2008-08-14 US disclosed
EP-1912267-A1 PHOTOELECTRIC CONVERSION ELEMENT Adeka Corporation (JP) 2008-04-16 EP disclosed
EP-1866980-A1 SEMICONDUCTOR MATERIALS FOR THIN FILM TRANSISTORS EASTMAN KODAK COMPANY (US) 2007-12-19 EP disclosed
WO-2006107591-A1 SEMICONDUCTOR MATERIALS FOR THIN FILM TRANSISTORS EASTMAN KODAK COMPANY (US) 2006-10-12 WO disclosed
US-20060220007-A1 Acene compounds having a single terminal fused thiophene as semiconductor materials for thin film transistors and methods of making the same EASTMAN KODAK COMPANY 2006-10-05 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 (2 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-20080191199-A1 Polyacene and Semiconductor Formulation OR51E2, PIEZO1, FDFT1 CASP1 3171/4885CASP7 4854/4885HSD17B10 4606/4885
US-20060220007-A1 Acene compounds having a single terminal fused thiophene as semiconductor materials for thin film transistors and methods of making the same ACE, ACE2, TTN CASP1 4155/4885CASP7 4049/4885HSD17B10 3013/4885

“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.