SCHEMBL17852135

SCHEMBL17852135

Brc1cccc2c1-c1cc3ccccc3cc1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
CYP3A4 P08684 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
PKM P14618 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL789190 0.79 MAOA (0.46) TSHRCYP3A4HSD17B10MAPTTP53
SCHEMBL30430068 0.79 MAOA (0.46) TSHRCYP3A4HSD17B10MAPTTP53
SCHEMBL20248568 0.77 METAP1 (0.41) MAPTMAPK1KDM4ESMN1; SMN2MEN1
SCHEMBL25720384 0.77 DRD2 (0.40) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL20248569 0.77 TDP2 (0.40) TSHRCYP3A4HSD17B10MAPTKDM4E
SCHEMBL19494737 0.77 MAOA (0.45) TSHRCYP3A4HSD17B10MAPTMAPK1
SCHEMBL1309364 0.76 METAP1 (0.43) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL12213268 0.76 CYP3A4 (0.43) TSHRCYP3A4HSD17B10MAPTMEN1
SCHEMBL30924248 0.76 MEN1 (0.46) TSHRCYP3A4HSD17B10MAPTTP53
SCHEMBL1655232 0.76 MEN1 (0.46) TSHRCYP3A4HSD17B10MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, H1-10, H1-0 TSHR 1572/4885CYP3A4 2599/4885HSD17B10 901/4885

“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.