SCHEMBL5950262

SCHEMBL5950262

CC(=Cc1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.65
ESR2 Q92731 1/20 0.65
PTGS1 P23219 9/20 0.50
PTGS2 P35354 7/20 0.50
NQO2 P16083 6/20 0.50
AKR1C3 P42330 1/20 0.44
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX5 P09917 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL15477961 1.00 ESR1 (0.65) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL3827456 0.90 PTGS1 (0.59) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL3827453 0.90 PTGS1 (0.59) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL3827458 0.90 PTGS1 (0.59) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL5954016 0.90 ESR1 (0.53) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL6051034 0.90 ESR1 (0.53) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL5954020 0.90 ESR1 (0.53) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL6051036 0.90 ESR1 (0.53) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL9789510 0.87 NQO2 (0.65) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL9789516 0.87 NQO2 (0.65) ESR1ESR2PTGS1PTGS2NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-4196229-A NITRILES, ESTERS, AMIDES, SULFONES, AND KETONES SANDOZ LTD. (CH) 1980-04-01 US disclosed
US-4108887-A Divinyl stilbenes as optical brighteners SANDOZ LTD. (CH) 1978-08-22 US disclosed
US-3947471-A CHROMOGENIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-03-30 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ESR1 3784/4885ESR2 2700/4885PTGS1 1687/4885

“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.