SCHEMBL3083475

SCHEMBL3083475

COc1ccc([C@@H](C#Cc2ccccc2)C2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.39
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP13 P45452 2/20 0.37
MMP1 P03956 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
NLRP3 Q96P20 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ACP3 P15309 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ACACB O00763 1/20 0.34
HSD17B2 P37059 1/20 0.34

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
SCHEMBL3083480 1.00 GLA (0.43) GLANPSR1KMT2AMMP2MMP3
SCHEMBL3080913 0.89 ALDH1A1 (0.36) NPC1POLBRAB9AALDH1A1KDM4E
SCHEMBL3080910 0.89 ALDH1A1 (0.36) NPC1POLBRAB9AALDH1A1KDM4E
SCHEMBL3077555 0.85 MDM2 (0.36) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL3077551 0.85 MDM2 (0.36) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL3071476 0.79 ACP3 (0.35) NPSR1ACP3ALDH1A1HPGDHSD17B2
SCHEMBL3071473 0.79 ACP3 (0.35) NPSR1ACP3ALDH1A1HPGDHSD17B2
SCHEMBL3080368 0.77 HPGD (0.39) GLAKMT2AMEN1NPC1POLB
SCHEMBL3080367 0.77 HPGD (0.39) GLAKMT2AMEN1NPC1POLB
SCHEMBL10776526 0.76 GLA (0.46) GLANPSR1NPC1POLBRAB9A

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 GLA 4059/4885NPSR1 2180/4885KMT2A 2019/4885

“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.