SCHEMBL14297110

SCHEMBL14297110

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP1A2 P05177 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL14297112 0.87 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL16222420 0.83 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ENPSR1CYP1A2
SCHEMBL14297093 0.79 ALDH1A1 (0.37) ALDH1A1HPGDKDM4ENPSR1CYP1A2
SCHEMBL16219583 0.77 ALDH1A1 (0.34) ALDH1A1HPGDKDM4ECYP1A2HSD17B10
SCHEMBL14297119 0.77 KDM4E (0.35) ALDH1A1HPGDKDM4ENPSR1CYP1A2
SCHEMBL3263989 0.74 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ENPSR1CYP1A2
SCHEMBL31064790 0.74 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ENPSR1CYP1A2
SCHEMBL27904278 0.73 CYP1A2 (0.50) ALDH1A1HPGDCYP1A2HSD17B10CYP2A6
SCHEMBL14297092 0.72 CYP1A2 (0.41) ALDH1A1HPGDKDM4ENPSR1CYP1A2
SCHEMBL278719 0.71 GPR84 (0.44) ALDH1A1HPGDKDM4ENPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771386-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-09-26 — — US disclosed
US-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT 2017-05-11 — — US disclosed
US-9446394-B2 Z-selective ring-closing metathesis reactions TRUSTEES OF BOSTON COLLEGE (US) 2016-09-20 — — US disclosed
US-20150246348-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-09-03 — — US disclosed
US-9073801-B2 Z-selective ring-closing metathesis reactions MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-07-07 — — US disclosed
US-20120323000-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS TRUSTEES OF BOSTON COLLEGE (US) 2012-12-20 — — 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 (3 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-20120323000-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 ALDH1A1 1620/4885HPGD 2362/4885KDM4E 2372/4885
US-20150246348-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 ALDH1A1 1620/4885HPGD 2362/4885KDM4E 2372/4885
US-20170129910-A1 Z-SELECTIVE RING-CLOSING METATHESIS REACTIONS ZYX, ZDHHC7, ZDHHC2 ALDH1A1 1620/4885HPGD 2362/4885KDM4E 2372/4885

“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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