SCHEMBL20127436

SCHEMBL20127436

c1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6cc7c8ccccc8oc7c7ccccc67)c6ccccc56)ccc4c3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
AHR P35869 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
ESR1 P03372 2/20 0.36
GSTP1 P09211 1/20 0.36
ESR2 Q92731 1/20 0.36
DYRK1A Q13627 1/20 0.35
MIF P14174 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL10122449 0.99 ALOX5 (0.43) ALOX5CYP1A1CYP1B1AHRNPC1
SCHEMBL10122457 0.96 ALOX5 (0.42) ALOX5CYP1A1CYP1B1AHRNPC1
SCHEMBL10122454 0.96 ALOX5 (0.41) ALOX5CYP1A1CYP1B1AHRNPC1
SCHEMBL20127386 0.93 CYP1A1 (0.43) ALOX5CYP1A1CYP1B1CYP1A2CYP2C9
SCHEMBL17943891 0.93 ALOX5 (0.41) ALOX5CYP1A1CYP1B1AHRNPC1
SCHEMBL20127384 0.93 CYP1A1 (0.40) ALOX5CYP1A1CYP1B1NPC1CYP1A2
SCHEMBL10122494 0.93 ALOX5 (0.46) ALOX5CYP1A1CYP1B1AHRNPC1
SCHEMBL10122492 0.92 ALOX5 (0.40) ALOX5CYP1A1CYP1B1AHRNPC1
SCHEMBL10122456 0.92 ALOX5 (0.42) ALOX5CYP1A1CYP1B1AHRNPC1
SCHEMBL10122493 0.91 ALOX5 (0.45) ALOX5CYP1A1CYP1B1AHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 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-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE RER1, NR0B1, NR2E1 ALOX5 4115/4885CYP1A1 399/4885CYP1B1 341/4885

“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.