SCHEMBL16146255

SCHEMBL16146255

CCCCCCCCCCCCc1ccc(-c2c(-c3ccc(CCCCCCCCCCCC)cc3)c(-c3cccc(-c4ccccc4)c3)c(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)c2-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.50
RARA P10276 2/20 0.50
RARG P13631 1/20 0.50
HSD11B1 P28845 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
HTR2A P28223 1/20 0.43
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL16145601 0.88 RARB (0.40) RARBRARARARGHSD11B1MEN1
SCHEMBL16146097 0.86 KCNH2 (0.49) RARBRARARARGHSD11B1MEN1
SCHEMBL16678699 0.84 HSD11B1 (0.63) RARBRARAHSD11B1MEN1ALDH1A1
SCHEMBL10528231 0.82 HSD17B10 (0.61) RARBRARARARGMEN1ALDH1A1
SCHEMBL4908685 0.82 HSD17B10 (0.61) RARBRARARARGMEN1ALDH1A1
SCHEMBL22989786 0.82 HSD17B10 (0.61) RARBRARARARGMEN1ALDH1A1
SCHEMBL26226733 0.82 HSD17B10 (0.61) RARBRARARARGMEN1ALDH1A1
SCHEMBL31270913 0.82 HSD17B10 (0.61) RARBRARARARGMEN1ALDH1A1
SCHEMBL8607022 0.82 HSD17B10 (0.61) RARBRARARARGMEN1ALDH1A1
SCHEMBL10455067 0.82 HSD17B10 (0.61) RARBRARARARGMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333141-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF BASF SE (DE) 2016-11-17 US disclosed
US-9434619-B2 Graphene nanoribbon precursors and monomers suitable for preparation thereof BASF SE (DE) 2016-09-06 US disclosed
US-20140301936-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF BASF SE (DE) 2014-10-09 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-20140301936-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF SCO2, CBR1, CBR3 RARB 346/4885RARA 329/4885RARG 349/4885
US-20160333141-A1 GRAPHENE NANORIBBON PRECURSORS AND MONOMERS SUITABLE FOR PREPARATION THEREOF SCO2, CBR1, CBR3 RARB 346/4885RARA 329/4885RARG 349/4885

“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.