SCHEMBL19256974

SCHEMBL19256974

CCCC(C)(C)c1ccc2c(O)nc(C)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.41
CNR2 P34972 13/20 0.41
ESR1 P03372 7/20 0.38
ESR2 Q92731 4/20 0.38
AR P10275 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
SCHEMBL20442007 0.88 MAPK1 (0.36) CNR1CNR2ESR1ESR2AR
SCHEMBL19256970 0.84 CNR2 (0.38) CNR1CNR2ESR1ESR2AR
SCHEMBL9880939 0.81 ALDH1A1 (0.42) ESR1
SCHEMBL22002069 0.73 CYP1A2 (0.44) CNR1CNR2ESR1ESR2AR
SCHEMBL19256973 0.72 ESR1 (0.41) CNR1CNR2ESR1ESR2AR
SCHEMBL19257090 0.72 CYP2A6 (0.42) CNR1CNR2ESR1ESR2AR
SCHEMBL9883152 0.71 TRPA1 (0.42)
SCHEMBL13829913 0.70 CYP1A2 (0.42)
SCHEMBL19256235 0.69 CNR2 (0.37) CNR1CNR2ESR1ESR2AR
SCHEMBL19256461 0.69 CNR2 (0.37) CNR1CNR2ESR1ESR2AR

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
US-9951059-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2017-08-17 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-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CNR1 2362/4885CNR2 1434/4885ESR1 4179/4885

“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.