SCHEMBL1571408

SCHEMBL1571408

COc1ccc(CBr)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.43
▸ ESR1 P03372 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ ADRA1A P35348 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL2060421 0.81 HTR2A (0.47) APLNRHTR2ACA12CA1CA2
SCHEMBL7562805 0.80 ALDH1A1 (0.47) APLNRESR1CYP19A1ESR2HTR2A
SCHEMBL3527192 0.79 APLNR (0.46) APLNRHTR2ACA12CA1CA2
SCHEMBL30486651 0.79 APLNR (0.46) APLNRHTR2ACA12CA1CA2
SCHEMBL8420644 0.78 APLNR (0.44) APLNRHTR2ACA12CA1CA2
SCHEMBL1492044 0.78 APLNR (0.63) APLNRHTR2ACA12CA1CA2
SCHEMBL12516104 0.77 APLNR (0.41) APLNRESR1CYP19A1ESR2CA12
SCHEMBL3677716 0.76 KDM1A (0.44) APLNRESR1CYP19A1ESR2HTR2A
SCHEMBL473882 0.76 SLC6A4 (0.46) APLNRHTR2ACA12CA1CA2
SCHEMBL29976707 0.76 SLC6A4 (0.46) APLNRHTR2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307337-B1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-01-13 — — EP disclosed
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 — — US disclosed
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 — — US disclosed
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 — — US disclosed
EP-2307337-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS The Regents Of The University Of California (US) 2011-04-13 — — EP disclosed
WO-2010008522-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-21 — — 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 (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-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS SLC18A2, AFF4, SLC6A19 APLNR 3413/4885ESR1 1113/4885CYP19A1 2286/4885

“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.

Send feedback