SCHEMBL10119908

SCHEMBL10119908

COC(=O)[C@@H]1C2CC(C[C@H]2O)[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FABP7 O15540 2/20 0.46
FABP5 Q01469 2/20 0.46
CPB1 P15086 1/20 0.46
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
FKBP1A P62942 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL14827592 0.87 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL14827594 0.87 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL10119909 0.79 CPB1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL13198694 0.79 CPB1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL10119906 0.79 CPB1 (0.48) ALDH1A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL17850116 0.78 CYP2C19 (0.38) ALDH1A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL13197262 0.76 FABP7 (0.54) ALDH1A1KMT2AFABP7FABP5CPB1
SCHEMBL14827593 0.76 FABP7 (0.55) ALDH1A1FABP7FABP5TSHRCA1
SCHEMBL14827596 0.76 FABP7 (0.48) ALDH1A1KMT2AFABP7FABP5TSHR
SCHEMBL17947657 0.76 CPB1 (0.61) ALDH1A1CYP2C9CYP2C19CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 ALDH1A1 4017/4885CYP2C9 698/4885CYP2C19 1067/4885

“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.