SCHEMBL21166499

SCHEMBL21166499

CCC(C)c1cc(OC)cc(OC)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA1A P35348 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CRHR1 P34998 2/20 0.34

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
SCHEMBL21166545 0.87 TAS1R3 (0.35) CYP2D6ALDH1A1ADRA2AADRA1AKDM4E
SCHEMBL16133969 0.82 CYP2D6 (0.41) CYP2D6ALDH1A1ADRA2AADRA1AKDM4E
SCHEMBL17522202 0.76 CALM1 (0.40) ALDH1A1ADRA2AADRA1AKDM4EMEN1
SCHEMBL19243000 0.76 ALDH1A1 (0.40) ALDH1A1LMNAGAAMAPT
SCHEMBL14450148 0.76 TUBB4A (0.37) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL19801119 0.75 TAAR1 (0.34)
SCHEMBL12606793 0.75 CA12 (0.50) CYP2D6ALDH1A1ADRA2AADRA1AADRB2
SCHEMBL11437277 0.75 CA12 (0.50) CYP2D6ALDH1A1ADRA2AADRA1AADRB2
SCHEMBL10172021 0.75 CA12 (0.50) CYP2D6ALDH1A1ADRA2AADRA1AADRB2
SCHEMBL11251015 0.75 CYP2D6 (0.59) CYP2D6ADRA2AADRA1AMEN1KMT2A

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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CYP2D6 3307/4885ALDH1A1 3719/4885ADRA2A 3626/4885

“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.