Sugi Predict

Sugi Predict / Compounds / SCHEMBL3080910

SCHEMBL3080910

SCHEMBL3080910

CC1(C)OC(=O)C([C@H](C#Cc2ccccc2)c2ccccc2)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ GRM5 P41594 10/20 0.33
▸ HSD17B2 P37059 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ APP P05067 1/20 0.31
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL3080913 1.00 ALDH1A1 (0.36) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3077555 0.91 MDM2 (0.36) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3077551 0.91 MDM2 (0.36) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3071476 0.89 ACP3 (0.35) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3071473 0.89 ACP3 (0.35) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3083480 0.89 GLA (0.43) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3083475 0.89 GLA (0.43) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3080367 0.84 HPGD (0.39) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3080368 0.84 HPGD (0.39) ALDH1A1CYP2C9CYP2C19MAPTHPGD
SCHEMBL3078902 0.83 ALDH1A1 (0.36) ALDH1A1CYP2C9CYP2C19MAPTHPGD

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-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 — — US disclosed
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 — — EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 — — WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 — — 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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 ALDH1A1 2507/4885CYP2C9 527/4885CYP2C19 442/4885

“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.