SCHEMBL7038845

SCHEMBL7038845

Oc1ccc(-c2[nH]c3ccc(Br)cc3c2-c2ccc(O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.63
ESR2 Q92731 4/20 0.63
PTGS2 P35354 6/20 0.58
GSK3B P49841 3/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
GSK3A P49840 2/20 0.47
ALOX5 P09917 1/20 0.47
AR P10275 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
PAX8 Q06710 1/20 0.46
GAA P10253 1/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43

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
SCHEMBL7040419 0.89 PTGS2 (0.52) ESR1ESR2PTGS2KDM4EALDH1A1
SCHEMBL15563263 0.83 PTGS2 (0.72) ESR1ESR2PTGS2MEN1KMT2A
SCHEMBL7036763 0.81 ESR1 (0.63) ESR1ESR2PTGS2ALOX5KDM4E
SCHEMBL7040768 0.80 PTGS2 (0.54) ESR1ESR2PTGS2MEN1KMT2A
SCHEMBL27048273 0.79 CHEK1 (0.49) ESR1ESR2GSK3BCDK5CDK5R1
SCHEMBL7037980 0.78 ESR1 (1.00) ESR1ESR2PTGS2
SCHEMBL7041577 0.77 ESR1 (0.73) ESR1ESR2PTGS2MEN1KMT2A
SCHEMBL7042896 0.76 ESR1 (0.71) ESR1ESR2PTGS2MEN1KMT2A
SCHEMBL22310441 0.75 PTGS2 (0.59) ESR1ESR2PTGS2ALOX5MEN1
SCHEMBL31060913 0.75 ESR1 (1.00) ESR1ESR2PTGS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2003-11-27 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-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885PTGS2 735/4885

“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.