SCHEMBL18090366

SCHEMBL18090366

Brc1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc(N(c2ccccc2)c2ccc3ccccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
PTGES O14684 4/20 0.36
ALOX5 P09917 4/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL12061272 0.98 CYP2A6 (0.41) CYP2A6ALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL18090352 0.98 CYP2A6 (0.41) CYP2A6ALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL19960911 0.96 HSD17B1 (0.38) CYP2A6ALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL18090467 0.94 ESR1 (0.42) ALDH1A1MAPK1KDM4ECYP1A2MEN1
SCHEMBL12003716 0.94 ESR1 (0.42) ALDH1A1MAPK1KDM4ECYP1A2MEN1
SCHEMBL18090362 0.94 CYP2A6 (0.45) CYP2A6ALDH1A1KDM4ECYP1A2MEN1
SCHEMBL19960908 0.94 CYP2A6 (0.45) CYP2A6ALDH1A1KDM4ECYP1A2MEN1
SCHEMBL12061280 0.94 CYP2A6 (0.45) CYP2A6ALDH1A1KDM4ECYP1A2MEN1
SCHEMBL18090558 0.92 ESR1 (0.44) CYP2A6ALDH1A1MAPK1KDM4ECYP1A2
SCHEMBL18090347 0.92 ESR1 (0.44) CYP2A6ALDH1A1MAPK1KDM4ECYP1A2

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-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-03-15 US disclosed
WO-2016148425-A2 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC APPARATUS FOR SAME 덕산네오룩스 주식회사 2016-09-22 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-20180072695-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 CYP2A6 2275/4885ALDH1A1 493/4885MAPK1 108/4885

“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.