SCHEMBL16634441

SCHEMBL16634441

Oc1ccc(C(Br)=CBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.44
ESR1 P03372 5/20 0.44
HSD17B10 Q99714 4/20 0.44
ALOX15 P16050 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 3/20 0.44
HIF1A Q16665 3/20 0.44
NR3C1 P04150 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
OPRD1 P41143 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
HPGD P15428 2/20 0.42

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
SCHEMBL2011615 0.77 CES2 (0.44) MAPTCYP1A2CYP2C19CA1CA2
SCHEMBL16795702 0.77 CES2 (0.44) MAPTLMNAALOX15MEN1KMT2A
SCHEMBL16795703 0.77 CES2 (0.44) MAPTLMNAALOX15MEN1KMT2A
SCHEMBL5905848 0.76 CES1 (0.39) MAPTLMNAHSD17B10ALOX15MEN1
SCHEMBL5905850 0.76 CES1 (0.39) MAPTLMNAHSD17B10ALOX15MEN1
SCHEMBL11057226 0.76 ESR1 (0.54) MAPTLMNAESR1HSD17B10ALOX15
SCHEMBL2101839 0.71 MAPT (0.53) MAPTLMNAESR1HSD17B10ALOX15
SCHEMBL125207 0.67 MEN1 (0.55) MAPTLMNAESR1HSD17B10ALOX15
SCHEMBL7153626 0.67 MAPT (0.60) MAPTLMNAESR1HSD17B10ALOX15
SCHEMBL187994 0.65 MAPT (0.53) MAPTLMNAESR1HSD17B10ALOX15

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
WO-2015063798-A1 A PROCESS FOR THE SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-07 WO disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR MAPT 1046/4885LMNA 3719/4885ESR1 3208/4885

“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.