SCHEMBL29587766

SCHEMBL29587766

N#Cc1cc(-c2cc(F)ccc2F)c(O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CNR1 P21554 8/20 0.38
CNR2 P34972 5/20 0.38
CYP11B2 P19099 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
FASN P49327 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL18617449 1.00 CA3 (0.40) CA3CA6CA5ACA9CA14
SCHEMBL18617452 0.90 ESR1 (0.40) ESR1ESR2CNR1CNR2CYP11B2
SCHEMBL29588509 0.90 ESR1 (0.40) ESR1ESR2CNR1CNR2CYP11B2
SCHEMBL29588030 0.83 CYP11B2 (0.41) ESR1ESR2CNR1CNR2CYP11B2
SCHEMBL18617406 0.83 CYP11B2 (0.41) ESR1ESR2CNR1CNR2CYP11B2
SCHEMBL18618164 0.82 BIRC5 (0.45) CNR1
SCHEMBL29587650 0.82 BIRC5 (0.45) CNR1
SCHEMBL18617407 0.81 CNR1 (0.47) ESR1ESR2CNR1CNR2CYP11B2
SCHEMBL29587648 0.79 FFAR4 (0.39) CNR1CNR2
SCHEMBL18587952 0.79 FFAR4 (0.39) CNR1CNR2

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-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 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-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 CA3 4316/4885CA6 1273/4885CA5A 1453/4885

“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.