SCHEMBL3070125

SCHEMBL3070125

CC(C)C(CCc1ccccc1)CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MMP12 P39900 3/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.49
KEAP1 Q14145 1/20 0.47
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44

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
SCHEMBL3070122 1.00 TSHR (0.51) TSHRMMP12MMP2MMP9MMP13
SCHEMBL2478370 0.81 TSHR (0.54) TSHRMMP12MMP2MMP9MMP13
SCHEMBL26837610 0.81 TSHR (0.54) TSHRMMP12MMP2MMP9MMP13
SCHEMBL5513603 0.81 CPA1 (0.56) NPC1RAB9ACPA1CPB1CPA3
SCHEMBL4439360 0.81 TSHR (0.54) TSHRMMP12MMP2MMP9MMP13
SCHEMBL22556247 0.81 CPA1 (0.56) NPC1RAB9ACPA1CPB1CPA3
SCHEMBL7712795 0.81 SMN1; SMN2 (0.53) TSHRSMN1; SMN2ALDH1A1
SCHEMBL14544335 0.80 CTSK (0.45) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL10188354 0.79 TRPA1 (0.52) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL18065715 0.77 MMP12 (0.56) TSHRMMP12MMP2MMP9MMP13

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 TSHR 2115/4885MMP12 3968/4885MMP2 4573/4885

“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.