SCHEMBL20127669

SCHEMBL20127669

c1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)c6ccccc56)ccc4c3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
AHR P35869 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
GSTP1 P09211 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NQO1 P15559 2/20 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
SCHEMBL10122341 0.98 AHR (0.41) CYP1A1CYP1B1AHRCYP1A2CYP2C9
SCHEMBL10122331 0.96 HSD17B1 (0.40) CYP1A1CYP1B1AHRCYP1A2CYP2C9
SCHEMBL10122350 0.96 ESR1 (0.40) CYP1A1CYP1B1AHRCYP1A2CYP2C9
SCHEMBL10122380 0.94 AHR (0.41) CYP1A1CYP1B1AHRCYP1A2CYP2C9
SCHEMBL17945213 0.93 PGR (0.41) CYP1B1AHRNPC1RAB9AALOX5
SCHEMBL10122349 0.93 AHR (0.41) CYP1A1CYP1B1AHRCYP1A2CYP2C9
SCHEMBL20127460 0.92 GPR84 (0.39) CYP1A1CYP1B1AHRCYP1A2CYP2C9
SCHEMBL10122383 0.92 HSD17B1 (0.41) CYP1A1CYP1B1AHRCYP1A2CYP2C9
SCHEMBL26492260 0.92 ESR1 (0.41) CYP1B1AHRNPC1RAB9AALOX5
SCHEMBL10122683 0.91 CYP1A1 (0.40) CYP1A1CYP1B1AHRCYP1A2CYP2C9

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 CYP1A1 399/4885CYP1B1 341/4885AHR 2558/4885

“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.