SCHEMBL26774944

SCHEMBL26774944

CC1(C)Oc2cc(O)cc(F)c2-c2c(F)cc(O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ CNR2 P34972 9/20 0.36
▸ CNR1 P21554 6/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ TRPV3 Q8NET8 2/20 0.36
▸ TRPV4 Q9HBA0 2/20 0.36
▸ TRPV2 Q9Y5S1 2/20 0.36
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ CYP2J2 P51589 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ ESR1 P03372 4/20 0.33
▸ ESR2 Q92731 4/20 0.33

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
SCHEMBL26767425 0.91 CNR2 (0.39) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL26768897 0.83 CNR2 (0.40) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL26767377 0.81 CNR2 (0.44) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL26767305 0.80 CNR2 (0.38) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL26774587 0.80 CNR2 (0.38) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL26767308 0.79 CNR2 (0.37) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL26774556 0.77 CNR2 (0.39) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL26774585 0.76 CNR2 (0.36) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL26767306 0.75 CNR2 (0.35) ALDH1A1CNR2CNR1TRPA1TRPV1
SCHEMBL17973970 0.68 AKT1 (0.36) ALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024025953-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES VANDRIA SA (CH) 2024-02-01 — — WO disclosed
US-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 — — 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-11820751-B2 Urolithin derivatives and methods of use thereof NLN, UQCRC2, TUFM ALDH1A1 851/4885CNR2 3529/4885CNR1 4055/4885

“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