SCHEMBL3339161

SCHEMBL3339161

Oc1ccc(-c2ccc(Br)cc2)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.65
APP P05067 2/20 0.46
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALOX5 P09917 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ESR2 Q92731 3/20 0.41
ESR1 P03372 2/20 0.41
PTPN1 P18031 1/20 0.41
HPGD P15428 2/20 0.40
CES2 O00748 1/20 0.40
GALR3 O60755 1/20 0.40
QDPR P09417 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL5028631 0.90 ALOX15 (0.62) ALOX15APPALOX5ALDH1A1CRHBP
SCHEMBL30268624 0.90 ALOX15 (0.62) ALOX15APPALOX5ALDH1A1CRHBP
SCHEMBL9622875 0.86 ALOX5 (0.62) ALOX15APPALOX5ESR2ESR1
SCHEMBL30144854 0.84 ALOX5 (0.64) ALOX15APPALOX5ALDH1A1MAPK1
SCHEMBL1371332 0.84 ALOX5 (0.64) ALOX15APPALOX5ALDH1A1MAPK1
SCHEMBL15674473 0.82 ALOX15 (0.48) ALOX15APPCA9ALOX5CRHBP
SCHEMBL15674635 0.82 ALOX5 (0.65) ALOX15APPALOX5ALDH1A1MAPK1
SCHEMBL6268020 0.80 ALOX15 (0.46) ALOX15APPESR2ESR1HSD17B1
SCHEMBL30218649 0.79
SCHEMBL395736 0.79

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-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-06-17 US disclosed
EP-2152719-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-17 EP disclosed
WO-2008141455-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-11-27 WO 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-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A ALOX15 179/4885APP 2025/4885CA12 4783/4885

“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.