SCHEMBL15545385

SCHEMBL15545385

c1ccc2c(c1)ccc1nnc3ccc4ccccc4c3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
CYP2A6 P11509 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 2/20 0.50
GPR3 P46089 1/20 0.48
HPRT1 P00492 1/20 0.48
TYMS P04818 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 3/20 0.45
HIF1A Q16665 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL1869260 0.89 GPR3 (0.54) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL7913562 0.83 HPRT1 (0.43) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL3145700 0.78 TYMS (0.43) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL3141831 0.76 KIF11 (0.42) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL22607292 0.76 TDP1 (0.44) ALDH1A1TDP1CYP3A4TYMSKDM4E
SCHEMBL29613365 0.75 HSD17B10 (0.72) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL29388002 0.75 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL535472 0.75 HSD17B10 (0.72) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL29487823 0.75 HSD17B10 (0.72) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL535635 0.75 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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
EP-2855344-B1 GRAPHENE NANORIBBONS WITH CONTROLLED MODIFICATIONS MAX PLANCK GESELLSCHAFT (DE) 2022-10-26 EP disclosed
US-9676755-B2 Graphene nanoribbons with controlled modifications BASF SE (DE) 2017-06-13 US disclosed
US-9527743-B2 Process for preparing graphene nanoribbons BASF SE (DE) 2016-12-27 US disclosed
US-20150225244-A1 PROCESS FOR PREPARING GRAPHENE NANORIBBONS BASF SE (DE) 2015-08-13 US disclosed
EP-2897901-A1 PROCESS FOR PREPARING GRAPHENE NANORIBBONS BASF SE (DE) 2015-07-29 EP disclosed
US-20150158850-A1 GRAPHENE NANORIBBONS WITH CONTROLLED MODIFICATIONS BASF SE (DE) 2015-06-11 US disclosed
EP-2855344-A1 GRAPHENE NANORIBBONS WITH CONTROLLED MODIFICATIONS BASF SE (DE) 2015-04-08 EP disclosed
WO-2014045148-A1 PROCESS FOR PREPARING GRAPHENE NANORIBBONS BASF SE (DE) 2014-03-27 WO disclosed
WO-2013175342-A1 GRAPHENE NANORIBBONS WITH CONTROLLED MODIFICATIONS BASF SE (DE) 2013-11-28 WO 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-20150158850-A1 GRAPHENE NANORIBBONS WITH CONTROLLED MODIFICATIONS SPIN3, SHROOM3, WNT3 HSD17B10 3685/4885ALDH1A1 4798/4885TSHR 4502/4885

“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.