SCHEMBL19805983

SCHEMBL19805983

CC(Cc1ccc(C(C)(C)C)c(OC(F)(F)F)c1)c1ccc(C2CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
PDE2A O00408 2/20 0.30
CASR P41180 1/20 0.30
FFAR1 O14842 1/20 0.30
EPHX1 P07099 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
SCHEMBL19806050 0.79 ESR1 (0.33) ESR1ESR2CNR2
SCHEMBL23209739 0.68 ESR2 (0.71) ESR1ESR2
SCHEMBL14220022 0.65 EPHX1 (0.43) ESR1ESR2EPHX1
SCHEMBL14219386 0.65 EPHX1 (0.43) ESR1ESR2EPHX1
SCHEMBL25467236 0.64 PDE2A (0.38) CNR2PDE2ACASR
SCHEMBL22845292 0.64 ESR1 (0.39) ESR1ESR2CNR1CNR2
SCHEMBL14219459 0.64 PDPK1 (0.38) ESR1ESR2
SCHEMBL14219401 0.64 ESR1 (0.36) ESR1ESR2
SCHEMBL14219321 0.64 ESR1 (0.36) ESR1ESR2
SCHEMBL19522474 0.63 ESR1 (0.41) ESR1ESR2CNR1FFAR1

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-10202354-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 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 (2 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-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B ESR1 1302/4885ESR2 308/4885CNR1 2007/4885
US-10202354-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B ESR1 1302/4885ESR2 308/4885CNR1 2007/4885

“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.