SCHEMBL17740976

SCHEMBL17740976

O=C(Cc1cc(Br)ccc1Br)c1ccc(Br)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SHBG P04278 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HPGD P15428 3/20 0.42
ALOX15 P16050 2/20 0.42
CES2 O00748 1/20 0.42
GALR3 O60755 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42
TTR P02766 1/20 0.41

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
SCHEMBL17429523 0.84 LMNA (0.51) LMNAMAPTNPC1RAB9AGAA
SCHEMBL17429532 0.84 MAPT (0.51) LMNAMAPTNPC1RAB9AGAA
SCHEMBL17429590 0.81 MAPT (0.44) LMNAMAPTNPC1RAB9AGAA
SCHEMBL17740977 0.80 ALOX15 (0.38) LMNAMAPTNPC1RAB9AGAA
SCHEMBL30253993 0.80 ALOX15 (0.38) LMNAMAPTNPC1RAB9AGAA
SCHEMBL6220484 0.79 LMNA (0.81) LMNAMAPTNPC1RAB9AGAA
SCHEMBL25666683 0.78 MAPT (0.54) LMNAMAPTNPC1RAB9AGAA
SCHEMBL24939658 0.77 MAPT (0.53) LMNAMAPTNPC1RAB9AGAA
SCHEMBL29586883 0.77 LMNA (0.67) LMNAMAPTNPC1RAB9AGAA
SCHEMBL7534898 0.75 HSP90AB1 (0.67) LMNAMAPTNPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-11-23 US disclosed
US-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-11-23 US disclosed
US-9725464-B2 Process for preparing tetracyclic heterocycle compounds MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
US-9725464-B2 Process for preparing tetracyclic heterocycle compounds MERCK SHARP & DOHME CORP. (US) 2017-08-08 US disclosed
WO-2017097253-A1 DEUTERIUM-MODIFIED ELBASVIR DERIVATIVE, DRUG COMPOSITION CONTAINING SAME, AND USE THEREOF 正大天晴药业集团股份有限公司 2017-06-15 WO disclosed
US-20160257698-A1 PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
US-20160257698-A1 PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-09-08 US disclosed
WO-2016073659-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-05-12 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 (2 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-20170334926-A1 PROCESS FOR PREPARING SUBSTITUTED INDOLE COMPOUNDS IDO1, IDO2, TPH1 LMNA 4291/4885MAPT 2778/4885NPC1 1067/4885
US-20160257698-A1 PROCESS FOR PREPARING TETRACYCLIC HETEROCYCLE COMPOUNDS GTF3C5, HCCS, GTF3C1 LMNA 3490/4885MAPT 3829/4885NPC1 285/4885

“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.