SCHEMBL755934

SCHEMBL755934

c1ccc2cc3c(cc2c1)sc1c2cc4sc5c6cc7ccccc7cc6sc5c4cc2sc31

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NQO1 P15559 1/20 0.37
MAPT P10636 2/20 0.35
GPR3 P46089 1/20 0.35
CYP2A6 P11509 5/20 0.33
RAB9A P51151 2/20 0.33
ASIC3 Q9UHC3 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
BCL2L1 Q07817 1/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
NQO2 P16083 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL30257603 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1NQO1
SCHEMBL29399266 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1NQO1
SCHEMBL9889312 0.98 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1NQO1
SCHEMBL29392558 0.93 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1NQO1
SCHEMBL17037125 0.93 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1NQO1
SCHEMBL3937196 0.93 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1ACYP1B1NQO1
SCHEMBL16857415 0.89 GPR3 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1MAPT
SCHEMBL753617 0.88 GPR3 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1MAPT
SCHEMBL17037103 0.86 HPRT1 (0.37) ALDH1A1HSD17B10HIF1ACYP1B1NQO1
SCHEMBL17037115 0.86 GPR3 (0.43) ALDH1A1HSD17B10HIF1ACYP1B1NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170288151-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM AND ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
US-20170288151-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM AND ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
EP-3193383-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURING SAME, AND ORGANIC SEMICONDUCTOR COMPOUND Fujifilm Corporation (JP) 2017-07-19 EP disclosed
US-20170098786-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURING SAME, ORGANIC SEMICONDUCTOR ELEMENT AND METHOD FOR MANUFACTURING SAME, AND ORGANIC SEMICONDUCTOR COMPOUND FUJIFILM CORPORATION (JP) 2017-04-06 US disclosed
US-20170098786-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR MANUFACTURING SAME, ORGANIC SEMICONDUCTOR ELEMENT AND METHOD FOR MANUFACTURING SAME, AND ORGANIC SEMICONDUCTOR COMPOUND FUJIFILM CORPORATION (JP) 2017-04-06 US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 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 (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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 ALDH1A1 2196/4885HSD17B10 3443/4885HIF1A 1501/4885

“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.