SCHEMBL20127378

SCHEMBL20127378

c1ccc(-c2cc3c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4oc3c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.42
CYP1B1 Q16678 5/20 0.42
DYRK1A Q13627 1/20 0.40
CYP1A2 P05177 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
PDE5A O76074 1/20 0.38
ABCB1 P08183 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2B6 P20813 1/20 0.38
TACR2 P21452 1/20 0.38

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
SCHEMBL20127379 0.99 CYP1A1 (0.41) CYP1A1CYP1B1DYRK1ACYP1A2KDM4E
SCHEMBL20127381 0.95 CYP1A1 (0.44) CYP1A1CYP1B1DYRK1ACYP1A2KDM4E
SCHEMBL20127383 0.92 CYP1A1 (0.40) CYP1A1CYP1B1DYRK1ACYP1A2KDM4E
SCHEMBL20127386 0.91 CYP1A1 (0.43) CYP1A1CYP1B1DYRK1ACYP1A2KDM4E
SCHEMBL20127375 0.90 KDM4E (0.41) CYP1A1CYP1B1CYP1A2KDM4EALDH1A1
SCHEMBL27011460 0.90 ALOX5 (0.46) CYP1A1CYP1B1CYP1A2KDM4EALDH1A1
SCHEMBL10122456 0.89 ALOX5 (0.42) CYP1A1CYP1B1DYRK1ACYP1A2KDM4E
SCHEMBL24585655 0.88 CYP1A1 (0.41) CYP1A1CYP1B1DYRK1ACYP1A2KDM4E
SCHEMBL19076348 0.88 CYP1A1 (0.41) CYP1A1CYP1B1DYRK1ACYP1A2ABCG2
SCHEMBL20127372 0.88 KDM4E (0.40) CYP1A1CYP1B1CYP1A2KDM4EALDH1A1

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 341/4885DYRK1A 3930/4885

“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.