SCHEMBL3962652

SCHEMBL3962652

O=C(Cl)CCc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
ESR1 P03372 1/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
CNR1 P21554 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
IDO1 P14902 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
SCHEMBL11701911 0.89 TAAR1 (0.50) TAAR1ESR1NR3C1PGRNR3C2
SCHEMBL10980509 0.86 KEAP1 (0.46) FFAR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL7332798 0.85 TAAR1 (0.57) TAAR1ESR1NR3C1PGRNR3C2
SCHEMBL6586 0.83 FFAR1 (0.68) TAAR1ESR1NR3C1PGRNR3C2
SCHEMBL5666545 0.81 TAAR1 (0.53) TAAR1ESR1NR3C1PGRNR3C2
SCHEMBL4234560 0.81 ALDH1A1 (0.60) TAAR1ESR1NR3C1PGRNR3C2
SCHEMBL2754670 0.81 TAAR1 (0.58) TAAR1ESR1NR3C1PGRNR3C2
SCHEMBL77287 0.81 EGFR (0.50) TAAR1ESR1NR3C1PGRNR3C2
SCHEMBL9479297 0.80 HDAC6 (0.65) TAAR1FFAR1FFAR4MEN1ALDH1A1
SCHEMBL3252805 0.79 PLAAT3 (0.55) TAAR1THRATHRBFFAR1FFAR4

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
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-1802630-A2 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006032893-A2 TRITYL DERIVATIVES FOR ENHANCING MASS SPECTROMETRY OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2006-03-30 WO disclosed
US-5041442-A Antiulcer agents SYNTEX (U.S.A.) INC. (US) 1991-08-20 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA TAAR1 2196/4885ESR1 4265/4885NR3C1 4281/4885

“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.