SCHEMBL21553352

SCHEMBL21553352

O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.80
CYP2C9 P11712 3/20 0.80
GAA P10253 4/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAOB P27338 6/20 0.42
HSD17B10 Q99714 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CYP19A1 P11511 1/20 0.42
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 5/20 0.40
KDM1A O60341 4/20 0.40
CYP2B6 P20813 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL13126906 0.82 CYP2C9 (0.63) CYP2C19CYP2C9GAAALDH1A1KMT2A
SCHEMBL18124767 0.80 CYP2C19 (0.56) CYP2C19CYP2C9GAAALDH1A1MAOB
SCHEMBL8998580 0.80 CYP2C19 (0.56) CYP2C19CYP2C9GAAALDH1A1KDM4E
SCHEMBL14619614 0.80 CYP2C19 (0.56) CYP2C19CYP2C9GAAALDH1A1KDM4E
SCHEMBL14619613 0.80 CYP2C19 (0.56) CYP2C19CYP2C9GAAALDH1A1KDM4E
SCHEMBL15482008 0.80 CYP2C19 (0.56) CYP2C19CYP2C9GAAALDH1A1KDM4E
SCHEMBL13126888 0.78 CYP2C9 (0.58) CYP2C19CYP2C9ALDH1A1TSHRMAOB
SCHEMBL7450000 0.78 CYP2C19 (0.53) CYP2C19CYP2C9GAAALDH1A1KDM4E
SCHEMBL6779019 0.78 CYP2C19 (0.53) CYP2C19CYP2C9GAAALDH1A1TSHR
SCHEMBL11309348 0.78 CYP2C19 (0.53) CYP2C19CYP2C9GAAALDH1A1TSHR

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-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-04-19 US disclosed
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS UNIV NANYANG TECH (SG) 2019-11-07 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-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT CYP2C19 127/4885CYP2C9 63/4885GAA 685/4885
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations CBR1, CBR3, CAT CYP2C19 127/4885CYP2C9 63/4885GAA 685/4885

“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.