SCHEMBL31290120

SCHEMBL31290120

CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)/C=C/c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 3/20 0.50
CYP19A1 P11511 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
P2RX4 Q99571 1/20 0.46

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
SCHEMBL5447641 1.00 ALDH1A1 (0.56) ALDH1A1HPGDLMNACYP19A1CA1
SCHEMBL19020461 1.00 ALDH1A1 (0.56) ALDH1A1HPGDLMNACYP19A1CA1
SCHEMBL21331621 1.00 ALDH1A1 (0.56) ALDH1A1HPGDLMNACYP19A1CA1
SCHEMBL16616743 1.00 ALDH1A1 (0.56) ALDH1A1HPGDLMNACYP19A1CA1
SCHEMBL18585887 0.89 ALDH1A1 (0.49) ALDH1A1HPGDLMNACYP19A1CA1
SCHEMBL31088265 0.89 ALDH1A1 (0.46) ALDH1A1HPGDLMNACYP19A1CA1
SCHEMBL28040137 0.88 TRPM8 (0.51) ALDH1A1HPGDLMNACYP19A1NPSR1
SCHEMBL28040136 0.88 TRPM8 (0.51) ALDH1A1HPGDLMNACYP19A1NPSR1
SCHEMBL14708959 0.87 CYP19A1 (0.52) ALDH1A1HPGDLMNACYP19A1NPSR1
SCHEMBL5085130 0.85 ALDH1A1 (0.56) ALDH1A1HPGDLMNACYP19A1CA1

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
EP-4731727-A1 HALF-WAVE PLATE Merck Patent GmbH (DE) 2026-04-29 EP disclosed
WO-2024260930-A1 HALF-WAVE PLATE MERCK PATENT GMBH (DE) 2024-12-26 WO disclosed