Sugi Predict

Sugi Predict / Compounds / SCHEMBL5672807

SCHEMBL5672807

SCHEMBL5672807

C=CC[C@@H](CO)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ EPHX1 P07099 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL6876618 1.00 TRPA1 (0.46) TRPA1SMN1; SMN2CYP2C19CYP1A2EPHX1
SCHEMBL250981 1.00 TRPA1 (0.46) TRPA1SMN1; SMN2CYP2C19CYP1A2EPHX1
SCHEMBL20901018 0.81 TDP1 (0.42) SMN1; SMN2CYP2C19TSHRATML3MBTL1
SCHEMBL13721525 0.81 TRPA1 (0.58) TRPA1CYP1A2EPHX1TSHRALPI
SCHEMBL5161982 0.81 TRPA1 (0.58) TRPA1CYP1A2EPHX1TSHRALPI
SCHEMBL29197870 0.81 TRPA1 (0.43) TRPA1SMN1; SMN2CYP2C19EPHX1TSHR
SCHEMBL253328 0.81 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C19CYP1A2EPHX1TSHR
SCHEMBL17457057 0.81 TRPA1 (0.43) TRPA1SMN1; SMN2CYP2C19EPHX1TSHR
SCHEMBL6876621 0.81 EPHX1 (0.43) SMN1; SMN2CYP2C19EPHX1TSHRATM
SCHEMBL28891867 0.81 TRPA1 (0.46) TRPA1CYP1A2EPHX1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259779-B2 Structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity WAYNE STATE UNIVERSITY (US) 2019-04-16 — — US disclosed
US-20180057448-A1 Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity WAYNE STATE UNIVERSITY 2018-03-01 — — US disclosed
US-20180057448-A1 Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity WAYNE STATE UNIVERSITY 2018-03-01 — — US disclosed
US-20180057448-A1 Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity WAYNE STATE UNIVERSITY 2018-03-01 — — US disclosed
CN-1293026-C Process for perparation of (R)-2-alkyl-3-phenyl-1-propanols SPEEDEL PHARMA AG (CH) 2007-01-03 — — CN disclosed
EP-1296912-B1 PROCESS FOR THE PREPARATION OF (R)-2-ALKYL-3-PHENYL-1-PROPANOLS SPEEDEL PHARMA AG (CH) 2006-01-25 — — EP disclosed
US-6881868-B2 Reacting an benzaldehyde and an alkyl ester to form a chemical intermediate stereoselective, for the preparation of antihypertensive agents; hydroxylation, acylation, alkenylation, hydrogenation SPEEDEL PHARMA AG (CH) 2005-04-19 — — US disclosed
US-6881868-B2 Reacting an benzaldehyde and an alkyl ester to form a chemical intermediate stereoselective, for the preparation of antihypertensive agents; hydroxylation, acylation, alkenylation, hydrogenation SPEEDEL PHARMA AG (CH) 2005-04-19 — — US disclosed
US-20040092766-A1 Stereoselective addition of propionic acid esters to benzaldehydes to form hydroxypropionic esters; dehydroxylation; reduction to corresponding allyl alcohols; enantioselective hydrogenation SPEEDEL PHARMA AG (CH) 2004-05-13 — — US disclosed
US-20040092766-A1 Stereoselective addition of propionic acid esters to benzaldehydes to form hydroxypropionic esters; dehydroxylation; reduction to corresponding allyl alcohols; enantioselective hydrogenation SPEEDEL PHARMA AG (CH) 2004-05-13 — — US disclosed
CN-1440374-A Process for perparation of (R)-2-alkyl-3-phenyl-1-propanols SPEEDEL PHARMA AG (CH) 2003-09-03 — — CN disclosed
EP-1296912-A1 PROCESS FOR THE PREPARATION OF (R)-2-ALKYL-3-PHENYL-1-PROPANOLS Speedel Pharma AG (CH) 2003-04-02 — — EP disclosed
WO-2002002487-A1 PROCESS FOR THE PREPARATION OF (R)-2-ALKYL-3-PHENYL-1-PROPANOLS SPEEDEL PHARMA AG (CH) 2002-01-10 — — WO 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-10259779-B2 Structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity HDAC8, HDAC6, HDAC1 TRPA1 2319/4885SMN1; SMN2 3367/4885CYP2C19 3099/4885
US-20180057448-A1 Structural requirements of histone deacetylase inhibitors: C4-modified saha analogs display dual HDAC6/HDAC8 selectivity HDAC8, HDAC6, HDAC1 TRPA1 2319/4885SMN1; SMN2 3367/4885CYP2C19 3099/4885
US-20040092766-A1 Stereoselective addition of propionic acid esters to benzaldehydes to form hydroxypropionic esters; dehydroxylation; reduction to corresponding allyl alcohols; enantioselective hydrogenation ADH1C, ADH5, ADH1A TRPA1 3076/4885SMN1; SMN2 4819/4885CYP2C19 608/4885

“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.