SCHEMBL3080368

SCHEMBL3080368

CC1(C)OC(=O)C(C(C#Cc2ccccc2)c2ccco2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
AGTR1 P30556 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
GRM5 P41594 3/20 0.31
GLA P06280 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B2 P37059 2/20 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
SCHEMBL3080367 1.00 HPGD (0.39) HPGDALDH1A1MAPTMEN1POLB
SCHEMBL3080913 0.84 ALDH1A1 (0.36) HPGDALDH1A1MAPTPOLBHSD17B10
SCHEMBL3080910 0.84 ALDH1A1 (0.36) HPGDALDH1A1MAPTPOLBHSD17B10
SCHEMBL3078902 0.79 ALDH1A1 (0.36) HPGDALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL3078907 0.79 ALDH1A1 (0.36) HPGDALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL3077555 0.79 MDM2 (0.36) HPGDALDH1A1MAPTMEN1POLB
SCHEMBL3077551 0.79 MDM2 (0.36) HPGDALDH1A1MAPTMEN1POLB
SCHEMBL3083480 0.77 GLA (0.43) HPGDALDH1A1MAPTMEN1POLB
SCHEMBL3071476 0.77 ACP3 (0.35) HPGDALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL3083475 0.77 GLA (0.43) HPGDALDH1A1MAPTMEN1POLB

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 HPGD 3160/4885ALDH1A1 2507/4885MAPT 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.