SCHEMBL10318843

SCHEMBL10318843

CC(C)(C)OC(=O)C1(c2ccc(C=O)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LPAR1 Q92633 1/20 0.34
CYP2A6 P11509 2/20 0.34
OPRM1 P35372 2/20 0.34
MIF P14174 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
PRCP P42785 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL29510861 0.93 PRCP (0.39) ALDH1A1PRCPSIGMAR1
SCHEMBL2771161 0.82 ALDH1A1 (0.49) ALDH1A1CYP2A6OPRM1ALDH5A1ABAT
SCHEMBL14258104 0.81 OPRM1 (0.49) LPAR1OPRM1SIGMAR1
SCHEMBL349475 0.81 RORC (0.41) ALDH1A1LPAR1OPRM1
SCHEMBL10317474 0.78 PPARG (0.41) ALDH1A1OPRM1
SCHEMBL7015977 0.77 ALDH1A1 (0.36) ALDH1A1OPRM1PRCPSIGMAR1
SCHEMBL7613755 0.76 ALDH1A1 (0.48) ALDH1A1OPRM1PRCPSIGMAR1
SCHEMBL349915 0.76 MAPT (0.46) ALDH1A1LPAR1SIGMAR1
SCHEMBL10318575 0.76 ALDH1A1 (0.39) ALDH1A1OPRM1
SCHEMBL350842 0.76 PSMB8 (0.46) ALDH1A1LPAR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481725-B1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-03-04 EP disclosed
US-8815920-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-08-26 US disclosed
US-8815920-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-08-26 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-8669246-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-03-11 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 US disclosed
EP-2481725-A1 SUBSTITUTED AMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-08-01 EP disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 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 (2 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-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 ALDH1A1 3512/4885LPAR1 1/4885CYP2A6 1484/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 ALDH1A1 3520/4885LPAR1 1/4885CYP2A6 1631/4885

“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.