SCHEMBL16634440

SCHEMBL16634440

C=Cc1c(O)ccc(Br)c1Br

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
ALOX12 P18054 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ERN1 O75460 1/20 0.32
NQO2 P16083 1/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL2371278 0.77 ERN1 (0.47) ALOX15ALOX12ERN1
SCHEMBL12971238 0.77 TRPA1 (0.38) ALOX15ERN1POLBMEN1KMT2A
SCHEMBL23953641 0.77 ERN1 (0.44) ALOX15ERN1
SCHEMBL16933897 0.74 ALDH1A1 (0.30)
SCHEMBL28006166 0.74 SLC22A8 (0.43) ALOX15ESR1ESR2ERN1TRPA1
SCHEMBL6560397 0.73 MAOB (0.44) ALOX15ERN1POLBMEN1KMT2A
SCHEMBL405155 0.71 SLC22A6 (0.41) ALOX15ERN1
Ethylene SCHEMBL7787456 0.70 ALOX15 (0.40) ALOX15ALOX12ESR1ESR2NQO2
SCHEMBL94834 0.69 ALOX15 (0.43) ALOX15ALOX12ESR1ESR2NQO2
SCHEMBL4551394 0.69 ALDH1A1 (0.47) ALOX15ERN1POLBTRPA1

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 2 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
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 ALOX15 1280/4885ALOX12 981/4885ESR1 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.