SCHEMBL21665302

SCHEMBL21665302

CCc1cncc(C(C)CS)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.35
SMYD3 Q9H7B4 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL19901886 0.81 GPR55 (0.39) GPR55SMYD3CHRNB2CHRNA4
SCHEMBL798986 0.80 GPR55 (0.38) GPR55SMYD3CHRNB2CHRNA4
SCHEMBL20885282 0.77 GPR55 (0.36) GPR55SMYD3CHRNB2CHRNA4
SCHEMBL22788203 0.75 GPR55 (0.37) GPR55SMYD3CHRNB2CHRNA4
SCHEMBL240843 0.72 SMYD3 (0.39) SMYD3CHRNB2CHRNA4
SCHEMBL20445161 0.69 ALDH1A1 (0.33) GPR55
SCHEMBL13534147 0.68 GPR55 (0.35) GPR55SMYD3CHRNB2CHRNA4
SCHEMBL26169682 0.68 CYP2A6 (0.36)
SCHEMBL21895812 0.67
SCHEMBL18964946 0.67

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-10647724-B2 Selective estrogen receptor degraders and uses thereof INVENTISBIO INC. (KY) 2020-05-12 US disclosed
US-20200040001-A1 SELECTIVE ESTROGEN RECEPTOR DEGRADERS AND USES THEREOF INVENTISBIO LLC 2020-02-06 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-10647724-B2 Selective estrogen receptor degraders and uses thereof ESR1, ESRRA, ESR2 GPR55 213/4885SMYD3 4527/4885CHRNB2 2726/4885
US-20200040001-A1 SELECTIVE ESTROGEN RECEPTOR DEGRADERS AND USES THEREOF ESR1, ESRRA, ESR2 GPR55 213/4885SMYD3 4527/4885CHRNB2 2726/4885

“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.