SCHEMBL21287632

SCHEMBL21287632

CN[C@H](CO)[C@@H](O)/C=C/c1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.66
SPHK2 Q9NRA0 1/20 0.64
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
CA1 P00915 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NFE2L2 Q16236 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL12450359 0.85 SPHK1 (0.63) SPHK1SPHK2CYP3A4KMT2AMEN1
SCHEMBL20651369 0.85 SPHK1 (0.63) SPHK1SPHK2CYP3A4KMT2AMEN1
SCHEMBL17072198 0.83 SPHK1 (0.48) SPHK1SPHK2CYP3A4CYP2C19CYP2C9
SCHEMBL17072197 0.83 SPHK1 (0.48) SPHK1SPHK2CYP3A4CYP2C19CYP2C9
SCHEMBL17072196 0.83 SPHK1 (0.48) SPHK1SPHK2CYP3A4CYP2C19CYP2C9
SCHEMBL20905106 0.79 SPHK1 (0.70) SPHK1SPHK2CYP2C19CYP2C9PTGS1
SCHEMBL18194573 0.79 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2C9PTGS1
SCHEMBL20596127 0.79 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2C9PTGS1
SCHEMBL20592376 0.79 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2C9PTGS1
SCHEMBL120911 0.79 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2C9PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683257-B2 Methods and intermediates for synthesizing SK1-I ENZO BIOCHEM, INC. (US) 2020-06-16 US disclosed
US-20200131113-A1 METHODS AND INTERMEDIATES FOR SYNTHESIZING SK1-I ENZO BIOCHEM, INC. (US) 2020-04-30 US disclosed
US-20190256453-A1 METHODS AND INTERMEDIATES FOR SYNTHESIZING SK1-I ENZO BIOCHEM, INC. (US) 2019-08-22 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 (3 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-10683257-B2 Methods and intermediates for synthesizing SK1-I SKP1, SKP2, KMT5A SPHK1 23/4885SPHK2 59/4885CYP3A4 646/4885
US-20200131113-A1 METHODS AND INTERMEDIATES FOR SYNTHESIZING SK1-I SKP1, SKP2, KMT5A SPHK1 23/4885SPHK2 59/4885CYP3A4 646/4885
US-20190256453-A1 METHODS AND INTERMEDIATES FOR SYNTHESIZING SK1-I SKP1, SKP2, KMT5A SPHK1 23/4885SPHK2 59/4885CYP3A4 646/4885

“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.