SCHEMBL3073191

SCHEMBL3073191

CC(C)[C@@H](C#Cc1ccccc1)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GRM5 P41594 10/20 0.33
▸ HSD17B2 P37059 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ HTR2A P28223 1/20 0.31

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
SCHEMBL3073195 1.00 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3078902 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3078907 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3080913 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3080910 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3076151 0.80 ALDH1A1 (0.34) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3076155 0.80 ALDH1A1 (0.34) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3078460 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3078458 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4MAPTCYP2C9HPGD
SCHEMBL3080367 0.76 HPGD (0.39) ALDH1A1CYP3A4MAPTCYP2C9HPGD

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 2 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
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 2507/4885CYP3A4 264/4885MAPT 4719/4885

“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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