SCHEMBL19203099

SCHEMBL19203099

Clc1ccc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 3/20 0.48
HSD17B10 Q99714 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
CASP1 P29466 3/20 0.44
HPGD P15428 3/20 0.44
HIF1A Q16665 2/20 0.44
CASP7 P55210 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 2/20 0.43
KLK7 P49862 1/20 0.41
CYP3A4 P08684 1/20 0.40
PABPC1 P11940 1/20 0.40
DNMT1 P26358 1/20 0.40
AHR P35869 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL25124635 0.86 CYP1A2 (0.50) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL23068382 0.85 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL31107074 0.85 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL21368136 0.84 TSHR (0.47) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL21326203 0.84 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL30075955 0.84 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL24079037 0.82 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL19202839 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL19202831 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL25124609 0.79 CYP1A2 (0.45) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11302870-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2022-04-12 US disclosed
EP-3312159-B1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2022-01-26 EP disclosed
US-10790449-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-09-29 US disclosed
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-19 US disclosed
EP-3312159-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2018-04-25 EP disclosed
US-20170222152-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-03 US disclosed
US-20170222152-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-03 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-10790449-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device RPL19, LEF1, RPL39 ALDH1A1 969/4885TSHR 2047/4885MAPK1 2112/4885
US-11302870-B2 Materials for electronic devices EFNA1, PNMT, FLNB ALDH1A1 365/4885TSHR 3467/4885MAPK1 1133/4885
US-20170222152-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE RPL19, LEF1, RPL39 ALDH1A1 969/4885TSHR 2047/4885MAPK1 2112/4885
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, PNMT, FLNB ALDH1A1 337/4885TSHR 3505/4885MAPK1 1096/4885

“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.