SCHEMBL27018784

SCHEMBL27018784

O=C1OC(c2ccccc2)C[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.46
TSHR P16473 1/20 0.43
MAOB P27338 5/20 0.43
AR P10275 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAOA P21397 1/20 0.41
PSMB5 P28074 1/20 0.41
LDHA P00338 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5349568 1.00 CYP19A1 (0.46) CYP19A1TSHRMAOBARHSD17B10
SCHEMBL27018775 1.00 CYP19A1 (0.46) CYP19A1TSHRMAOBARHSD17B10
SCHEMBL27779717 1.00 CYP19A1 (0.46) CYP19A1TSHRMAOBARHSD17B10
SCHEMBL11395645 0.90 KDM1A (0.41) CYP19A1MAOBARHSD17B10ADORA3
SCHEMBL11386397 0.90 KDM1A (0.41) CYP19A1MAOBARHSD17B10ADORA3
SCHEMBL11386400 0.90 KDM1A (0.41) CYP19A1MAOBARHSD17B10ADORA3
SCHEMBL11386399 0.90 KDM1A (0.41) CYP19A1MAOBARHSD17B10ADORA3
SCHEMBL11394360 0.90 KDM1A (0.41) CYP19A1MAOBARHSD17B10ADORA3
SCHEMBL26328190 0.81 MAOB (0.43) CYP19A1MAOBCYP3A4MAPTCYP1A2
SCHEMBL27006295 0.81 RET (0.40) MAOBHSD17B10KDM4ELDHAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101701227-A Method for preparing optically pure 2-hydroxy-4-phenyl butyric acid with lactonase UNIV EAST CHINA SCIENCE & TECH 2010-05-05 CN claimed
US-20240018076-A1 PROCESS FOR THE PREPARATION OF A CHIRAL TRIOL HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US disclosed
US-20240018076-A1 PROCESS FOR THE PREPARATION OF A CHIRAL TRIOL HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US disclosed
CN-101701227-A Method for preparing optically pure 2-hydroxy-4-phenyl butyric acid with lactonase UNIV EAST CHINA SCIENCE & TECH 2010-05-05 CN 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-20240018076-A1 PROCESS FOR THE PREPARATION OF A CHIRAL TRIOL HMGCR, CETP, MTTP CYP19A1 313/4885TSHR 422/4885MAOB 2879/4885

“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.