SCHEMBL20374897

SCHEMBL20374897

c1ccc2c(c1)ccc1c3ccc(-c4c5ccccc5c(-c5ccc6ccc7ccc(-c8ccc9c%10ccccc%10c%10ccc(-c%11c%12ccccc%12c(-c%12ccc%13c(c%12)sc%12c%14ccccc%14ccc%13%12)c%12ccccc%11%12)cc%10c9c8)cc7c6c5)c5ccccc45)cc3sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 6/20 0.40
▸ CYP1A1 P04798 5/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ HPRT1 P00492 4/20 0.36
▸ LIMK1 P53667 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ MAPK9 P45984 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL17247171 0.97 CYP1B1 (0.42) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL17247176 0.94 CYP1B1 (0.42) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL20131228 0.92 CYP1B1 (0.40) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL20374861 0.91 CYP1B1 (0.40) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL27302928 0.89 ALOX5 (0.39) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL17944413 0.89 CYP1A1 (0.47) CYP1B1CYP1A1CYP1A2LIMK1ALDH1A1
SCHEMBL17247135 0.88 CYP1B1 (0.42) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL17246870 0.88 CYP1A1 (0.49) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL17247178 0.88 CYP1A1 (0.42) CYP1B1CYP1A1CYP1A2HPRT1LIMK1
SCHEMBL17247174 0.88 CYP1B1 (0.42) CYP1B1CYP1A1CYP1A2HPRT1ALDH1A1

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-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-07-12 — — 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-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM CYP1B1 276/4885CYP1A1 61/4885CYP1A2 252/4885

“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.

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