Sugi Predict

Sugi Predict / Compounds / SCHEMBL1890301

SCHEMBL1890301

SCHEMBL1890301

COc1ccc(/C=C(\C(=O)OC(C)(C)C)C(=O)c2ccccc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MAOA P21397 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ AR P10275 1/20 0.43
▸ CHRM1 P11229 1/20 0.43

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
SCHEMBL1890302 1.00 MAOB (0.51) MAOBCYP2C19MAOAMAPTCYP2D6
SCHEMBL1890304 1.00 MAOB (0.51) MAOBCYP2C19MAOAMAPTCYP2D6
SCHEMBL1887496 0.89 MEN1 (0.48) MAOBCYP2C19MAOAMAPTNPC1
SCHEMBL1887498 0.89 MEN1 (0.48) MAOBCYP2C19MAOAMAPTNPC1
SCHEMBL1887493 0.89 MEN1 (0.48) MAOBCYP2C19MAOAMAPTNPC1
SCHEMBL1895080 0.88 MAPT (0.47) MAOBCYP2C19MAOAMAPTCYP2D6
SCHEMBL1895082 0.88 MAPT (0.47) MAOBCYP2C19MAOAMAPTCYP2D6
SCHEMBL1895083 0.88 MAPT (0.47) MAOBCYP2C19MAOAMAPTCYP2D6
SCHEMBL1895191 0.86 MAPT (0.47) MAOBCYP2C19MAOAMAPTCYP2D6
SCHEMBL1895189 0.86 MAPT (0.47) MAOBCYP2C19MAOAMAPTCYP2D6

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
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-19 — — US disclosed
US-7851640-B2 Catalytic enantioselective synthesis of flavanones and chromanones NORTHWESTERN UNIVERSITY (US) 2010-12-14 — — US disclosed
US-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-15 — — US disclosed
WO-2009108392-A2 CATALYTIC ENANTIOSELECTIVE SYNTHESIS OF FLAVANONES AND CHROMANES NORTHWESTERN UNIVERSITY (US) 2009-09-03 — — 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 (2 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-20090259055-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 MAOB 458/4885CYP2C19 112/4885MAOA 745/4885
US-20110117649-A1 Catalytic enantioselective synthesis of flavanones and chromanones RNGTT, CDK20, TBXAS1 MAOB 458/4885CYP2C19 112/4885MAOA 745/4885

“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.