SCHEMBL10034792

SCHEMBL10034792

O=CC1O[C@@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.41
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10400517 1.00 EPHX1 (0.41) EPHX1TSHRMAPTGAAALDH1A1
SCHEMBL5301553 1.00 EPHX1 (0.41) EPHX1TSHRMAPTGAAALDH1A1
SCHEMBL6109677 1.00 EPHX1 (0.41) EPHX1TSHRMAPTGAAALDH1A1
SCHEMBL10400049 1.00 EPHX1 (0.41) EPHX1TSHRMAPTGAAALDH1A1
SCHEMBL9802330 0.80 MEN1 (0.38) MAPTGAAALDH1A1CYP2A6LMNA
SCHEMBL10400428 0.80 RAB9A (0.38) MAPTALDH1A1CYP2A6LMNAMAPK1
SCHEMBL9377930 0.79 LMNA (0.39) EPHX1TSHRMAPTGAAALDH1A1
SCHEMBL10372159 0.79 LMNA (0.39) EPHX1TSHRMAPTGAAALDH1A1
SCHEMBL5057401 0.76 EPHX1 (0.36) EPHX1TSHRALDH1A1
SCHEMBL6684940 0.76 EPHX1 (0.37) EPHX1TSHRHTR2BCYP2C19

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-8106231-B2 Process for the preparation of (2R,3S)-3-phenylisoserine methyl ester acetate salt INDENA S.P.A. (IT) 2012-01-31 US disclosed
US-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT INDENA S.P.A. (IT) 2010-07-01 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-20100168460-A1 PROCESS FOR THE PREPARATION OF (2R,3S)-3-PHENYLISOSERINE METHYL ESTER ACETATE SALT SPTSSB, SRR, MTAP EPHX1 3540/4885TSHR 1870/4885MAPT 630/4885

“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.