SCHEMBL20511323

SCHEMBL20511323

COc1ccc(CNc2cccc(C)c2C)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.56
CYP1A2 P05177 10/20 0.53
CYP3A4 P08684 10/20 0.53
CYP2D6 P10635 10/20 0.53
TSHR P16473 10/20 0.53
CYP2C19 P33261 10/20 0.53
CLK4 Q9HAZ1 5/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 4/20 0.53
HSD17B10 Q99714 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALOX15 P16050 3/20 0.52
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4C Q9H3R0 1/20 0.49
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL14868265 0.83 APLNR (0.56) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14868266 0.81 APLNR (0.61) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14868267 0.80 APLNR (0.59) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5543274 0.79 APLNR (0.58) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL12292182 0.79 APLNR (0.58) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21262083 0.79 CYP1A2 (0.59) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14671911 0.79 GAA (0.70) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL24636086 0.78 APLNR (0.56) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL16097759 0.77 APLNR (0.52) APLNRCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4120083 0.77 TSHR (0.43) APLNRCYP1A2CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486258-B2 Compounds and methods for regulating insulin secretion THE BROAD INSTITUTE, INC. (US) 2025-12-02 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-11555031-B2 Compounds and methods for regulating insulin secretion THE BROAD INSTITUTE, INC. (US) 2023-01-17 US disclosed
EP-3601326-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION The Broad Institute, Inc. (US) 2020-02-05 EP disclosed
WO-2018175324-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2018-09-27 WO 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 (3 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-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION IAPP, GPR119, PNLIP APLNR 246/4885CYP1A2 4816/4885CYP3A4 4626/4885
US-11555031-B2 Compounds and methods for regulating insulin secretion IAPP, GPR119, INSR APLNR 607/4885CYP1A2 3527/4885CYP3A4 2639/4885
US-12486258-B2 Compounds and methods for regulating insulin secretion IAPP, GPR119, PNLIP APLNR 246/4885CYP1A2 4816/4885CYP3A4 4626/4885

“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.