SCHEMBL8960120

SCHEMBL8960120

COC(=O)C(C)c1ccc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MT-CO2 P00403 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 1/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
LPAR1 Q92633 1/20 0.40

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
SCHEMBL8960117 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MT-CO2TAS1R3TAS1R1TAS1R2
SCHEMBL4060612 0.85 SMN1; SMN2 (0.45) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL16219339 0.84 MT-CO2 (0.41) MT-CO2HPGDPTGS1PTGS2
SCHEMBL2063733 0.84 LPAR1 (0.50) LPAR1
SCHEMBL16672742 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL29273914 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL10174511 0.83 SMN1; SMN2 (0.44) SMN1; SMN2MT-CO2TAS1R3TAS1R1TAS1R2
SCHEMBL27766136 0.82 TRPA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL11069259 0.82 MT-CO2 (0.49) SMN1; SMN2MT-CO2HPGDALDH1A1TRPA1
SCHEMBL6834772 0.82 SMN1; SMN2 (0.42) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD

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-8431614-B2 Loxoprofen derivative and pharmaceutical preparation containing the same LTT BIO-PHARMA CO., LTD. (JP) 2013-04-30 US disclosed
US-20120016158-A1 LOXOPROFEN DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME LTT BIO-PHARMA CO., LTD. (JP) 2012-01-19 US disclosed
EP-0441979-B1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEM (JP) 1996-01-31 EP disclosed
EP-0441979-A1 OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-21 EP 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-20120016158-A1 LOXOPROFEN DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME PTGER1, LOX, CYP2F1 SMN1; SMN2 3159/4885MT-CO2 3613/4885TAS1R3 1088/4885

“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.