SCHEMBL31501587

SCHEMBL31501587

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.41
EGFR P00533 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL31376582 1.00 CYP1A2 (0.42) CYP1A2CYP2C19EGFRTDP1GLA
SCHEMBL31436287 0.84 TDP1 (0.45) CYP1A2EGFRTDP1GLAALDH1A1
SCHEMBL31376537 0.84 TDP1 (0.45) CYP1A2EGFRTDP1GLAALDH1A1
SCHEMBL11584303 0.81 CYP1A2 (0.42) CYP1A2CYP2C19EGFRTDP1GLA
SCHEMBL31376543 0.81 MEN1 (0.49) CYP1A2GLAALDH1A1LMNANPC1
SCHEMBL31436266 0.78 CYP1A2 (0.56) CYP1A2TDP1GLAALDH1A1LMNA
SCHEMBL27810717 0.76 CYP2D6 (0.37) CYP1A2CYP2C19EGFRTDP1GLA
SCHEMBL16865380 0.76 KLK5 (0.46) MAPTPPARA
SCHEMBL16865378 0.76 KLK5 (0.46) MAPTPPARA
SCHEMBL19167454 0.75 CYP1A2 (0.44) CYP1A2CYP2C19EGFRTDP1GLA

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-20250065315-A1 IRON COMPLEXES FOR ENANTIOSELECTIVE CIS DIHYDROXYLATION OF ALKENES Laboratory for Synthetic Chemistry and Chemical Biology Limited (CN) 2025-02-27 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-20250065315-A1 IRON COMPLEXES FOR ENANTIOSELECTIVE CIS DIHYDROXYLATION OF ALKENES SQLE, NFE2L2, FECH CYP1A2 18/4885CYP2C19 159/4885EGFR 1790/4885

“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.