SCHEMBL16219583

SCHEMBL16219583

Cc1c(Br)cc2ccccc2c1-c1c(C(C)(C)C)c(Br)cc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX5 P09917 1/20 0.30

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
SCHEMBL16219585 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL14297110 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL27904278 0.77 CYP1A2 (0.50) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL16219581 0.75 CYP1A2 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL16222420 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL11143661 0.73 CYP1A2 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL25212109 0.73 ALDH1A1 (0.34) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL12925915 0.71 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL24859351 0.68 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL15301847 0.68 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441059-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-13 — — US disclosed
US-20140378637-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL SCIENCE FOUNDATION 2014-12-25 — — US disclosed
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-06 — — 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-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF TERT, CYP19A1, MPO ALDH1A1 109/4885HSD17B10 1770/4885HIF1A 588/4885

“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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