SCHEMBL275641

SCHEMBL275641

CCCCCCCCCCCOCCCCCCCCCCCC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1cc(I)c(O)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRND Q07001 6/20 0.51
CHRNA1 P02708 2/20 0.51
CHRNG P07510 2/20 0.51
CHRNB1 P11230 2/20 0.51
GRIA1 P42261 6/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.42
PCNA P12004 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
SCHEMBL12637056 0.87 CHRND (0.46) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL12309199 0.78 GRIA1 (0.51) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL13123764 0.78 ALDH1A1 (0.48) CHRNDCHRNA1CHRNGCHRNB1PCNA
SCHEMBL31072235 0.78 ALDH1A1 (0.48) CHRNDCHRNA1CHRNGCHRNB1PCNA
SCHEMBL31110376 0.78 GRIA1 (0.51) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL314719 0.78 FOLH1 (0.52) GRIA1ITGB3ITGA2BPCNA
Octanedioate SCHEMBL30486829 0.76 ITGB3 (0.52) CHRNDCHRNA1CHRNGCHRNB1GRIA1
Dodecanoate SCHEMBL31683851 0.76 ITGB3 (0.52) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6651343 0.76 ITGB3 (0.58) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL6650599 0.76 ITGB3 (0.58) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180008753-A1 SIDE-CHAIN CRYSTALLIZABLE POLYMERS FOR MEDICAL APPLICATIONS REVA MEDICAL, INC. 2018-01-11 US disclosed
US-9782523-B2 Side-chain crystallizable polymers for medical applications REVA MEDICAL, INC. (US) 2017-10-10 US disclosed
US-20160303278-A1 DEVICES, COMPOSITIONS AND METHODS FOR BONE AND TISSUE AUGMENTATION REVA MEDICAL, LLC 2016-10-20 US disclosed
US-9402859-B1 Devices, compositions and methods for bone and tissue augmentation REVA MEDICAL, INC. (US) 2016-08-02 US disclosed
US-8702716-B1 Devices, compositions and methods for bone and tissue augmentation REVA MEDICAL INC. (US) 2014-04-22 US disclosed
US-8133959-B2 Side-chain crystallizable polymers for medical applications REVA MEDICAL, INC. (US) 2012-03-13 US disclosed
US-8124700-B2 Side-chain crystallizable polymers for medical applications REVA MEDICAL, INC. (US) 2012-02-28 US disclosed
US-20110212050-A1 SIDE-CHAIN CRYSTALLIZABLE POLYMERS FOR MEDICAL APPLICATIONS REVA MEDICAL, INC. (US) 2011-09-01 US disclosed
US-20110213090-A1 SIDE-CHAIN CRYSTALLIZABLE POLYMERS FOR MEDICAL APPLICATIONS REVA MEDICAL, INC. (US) 2011-09-01 US disclosed
US-20110213456-A1 SIDE-CHAIN CRYSTALLIZABLE POLYMERS FOR MEDICAL APPLICATIONS REVA MEDICAL, INC. (US) 2011-09-01 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-20180008753-A1 SIDE-CHAIN CRYSTALLIZABLE POLYMERS FOR MEDICAL APPLICATIONS HACD2, HACD3, PAICS CHRND 2509/4885CHRNA1 2867/4885CHRNG 1478/4885
US-20110212050-A1 SIDE-CHAIN CRYSTALLIZABLE POLYMERS FOR MEDICAL APPLICATIONS IRS1, INSRR, LCP1 CHRND 3028/4885CHRNA1 3699/4885CHRNG 2945/4885

“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.