SCHEMBL21116740

SCHEMBL21116740

c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4c5sc6c(ccc7c6c6ccccc6n7-c6ccc7c(ccc8ccccc87)c6)c5ccc43)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP1B1 Q16678 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HIF1A Q16665 1/20 0.37
RAB9A P51151 2/20 0.36
HPRT1 P00492 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 3/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21117002 0.94 ALDH1A1 (0.37) ALDH1A1CYP1B1HSD17B10HIF1ARAB9A
SCHEMBL11932985 0.93 RAB9A (0.38) ALDH1A1RAB9AKDM4EATML3MBTL1
SCHEMBL18086241 0.87 ALDH1A1 (0.33) ALDH1A1CYP1B1HSD17B10HIF1ARAB9A
SCHEMBL16484994 0.85 KDM4E (0.39) KDM4EATML3MBTL1
SCHEMBL10014499 0.85 PMM2 (0.40) ALDH1A1RAB9AKDM4EATML3MBTL1
SCHEMBL18086243 0.85 PMM2 (0.36) ALDH1A1RAB9AKDM4EATML3MBTL1
SCHEMBL21927983 0.85 CYP1A1 (0.33) ALDH1A1CYP1B1HSD17B10RAB9AKDM4E
SCHEMBL19786533 0.84 CYP1B1 (0.34) ALDH1A1CYP1B1HSD17B10HIF1ARAB9A
SCHEMBL19359913 0.84 KDM4E (0.50) ALDH1A1CYP1B1HSD17B10HIF1AHPRT1
SCHEMBL21116691 0.84 KDM4E (0.52) ALDH1A1HSD17B10KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194219-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-06-27 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-20190194219-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH SAME OR10J3, EML4, AOC2 ALDH1A1 174/4885CYP1B1 1321/4885HSD17B10 1437/4885

“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.