SCHEMBL222881

SCHEMBL222881

Oc1cc(C(F)C(F)F)cc(C(F)C(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL3973319 0.72 ESR1 (0.50) CA12CA1CA9TSHRHIF1A
SCHEMBL7670364 0.65 PGK1 (0.35)
SCHEMBL2050376 0.65 GABRA1 (0.48) BACE1CA1CA9TSHRHIF1A
SCHEMBL23888768 0.63 CA12 (0.57) BACE1CA12CA1CA9
SCHEMBL30225640 0.63 CA12 (0.57) BACE1CA12CA1CA9
SCHEMBL28900423 0.63 GABRA1 (0.46) BACE1CA1CA9TSHRHIF1A
SCHEMBL2340744 0.62 CYP3A4 (0.35) BACE1CA12CA1CA9TSHR
SCHEMBL21551002 0.62 HCAR1 (0.40) BACE1CA12CA1CA9TSHR
SCHEMBL30931765 0.62 HCAR1 (0.40) BACE1CA12CA1CA9TSHR
SCHEMBL30994395 0.62 ALDH1A1 (0.55) BACE1CA12CA1CA9TSHR

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-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 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-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT HCAR1, HCAR3, CYP2C9 BACE1 3873/4885CA12 2677/4885CA1 3470/4885

“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.