SCHEMBL2995194

SCHEMBL2995194

CC(=O)c1[c]c2c3c(cccc3c1)-c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.47
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 5/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
CASP1 P29466 4/20 0.36
CASP7 P55210 3/20 0.36
PABPC1 P11940 2/20 0.36
CYP3A4 P08684 1/20 0.36
DNMT1 P26358 1/20 0.36
HPGD P15428 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HIF1A Q16665 2/20 0.35
TP53 P04637 2/20 0.35
S100A4 P26447 1/20 0.35
MAPT P10636 3/20 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
SCHEMBL18317628 0.75 MAPK1 (0.45) KLK7ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL6413199 0.75 ALDH1A1 (0.45) KLK7ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL18317228 0.71 MAPK1 (0.45) KLK7ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL28175199 0.70 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDMEN1KMT2A
Fluoranthene SCHEMBL28479921 0.69 ALDH1A1 (0.71) KLK7ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL6413188 0.69 ALDH1A1 (0.38) KLK7ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL6417159 0.68 MAPK1 (0.41) KLK7ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL18317640 0.64 KDM4E (0.41) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL293511 0.64 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL18317172 0.63 RAB9A (0.37) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1

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-8221907-B2 Chrysene derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-07-17 US disclosed
US-20100194270-A1 CHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-08-05 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-20100194270-A1 CHRYSENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME RPS10, OR10J3, RPS25 KLK7 4138/4885ALDH1A1 2760/4885HSD17B10 1104/4885

“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.