SCHEMBL17354923

SCHEMBL17354923

C[C@@H]([C@H](O)CCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ANPEP P15144 2/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP2C9 P11712 1/20 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
SCHEMBL1149281 1.00 TSHR (0.45) TSHRALDH1A1POLBCYP1A2CYP2C19
SCHEMBL6350811 0.81 PKM (0.41) TSHRALDH1A1POLBCYP1A2CYP2C19
SCHEMBL19025403 0.79 ANPEP (0.44) TSHRALDH1A1POLBCYP1A2CYP2C19
SCHEMBL105518 0.76 TSHR (0.50) TSHRPOLBCYP1A2CYP2C19CYP3A4
SCHEMBL108917 0.76 TRPA1 (0.50) TSHRPOLBCYP1A2CYP2C19CYP3A4
SCHEMBL1149370 0.76 MMP12 (0.45) TSHRALDH1A1POLBCYP1A2CYP2C19
SCHEMBL30146557 0.75 TDP1 (0.52) TSHRALDH1A1CYP3A4SMN1; SMN2HPGD
SCHEMBL30146580 0.75 TDP1 (0.52) TSHRALDH1A1CYP3A4SMN1; SMN2HPGD
SCHEMBL7268763 0.75 TDP1 (0.52) TSHRALDH1A1CYP3A4SMN1; SMN2HPGD
SCHEMBL8977879 0.74 ANPEP (0.43) TSHRALDH1A1CYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9901913-B2 Catalyst and method for producing optically active anti-1,2-nitroalkanol compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2018-02-27 — — US disclosed
US-9901913-B2 Catalyst and method for producing optically active anti-1,2-nitroalkanol compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2018-02-27 — — US disclosed
US-20150375219-A1 Catalyst and Method for Producing Optically Active Anti-1,2-Nitroalkanol Compound Microbial Chemistry Rsearch Fiundation (JP) 2015-12-31 — — US disclosed
US-20150375219-A1 Catalyst and Method for Producing Optically Active Anti-1,2-Nitroalkanol Compound Microbial Chemistry Rsearch Fiundation (JP) 2015-12-31 — — US disclosed
EP-2957342-A1 CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ANTI-1,2-NITROALKANOL COMPOUND Microbial Chemistry Research Foundation (JP) 2015-12-23 — — EP 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-20150375219-A1 Catalyst and Method for Producing Optically Active Anti-1,2-Nitroalkanol Compound SCN1A, SCN1B, NOS1 TSHR 3783/4885ALDH1A1 918/4885POLB 606/4885

“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.

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