SCHEMBL717688

SCHEMBL717688

C=C(C)C(=O)OC(CC(C)(C)Sc1ccccc1)(CC(C)(C)Sc1ccccc1)CC(C)(C)Sc1ccccc1.C=CC(=O)NC(CC(C)(C)Sc1ccccc1)(CC(C)(C)Sc1ccccc1)CC(C)(C)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TGM2 P21980 1/20 0.31

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
SCHEMBL718911 0.77 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL285817 0.76 THRB (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL717487 0.68 TGM2 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL285591 0.67 TDP1 (0.41) ALDH1A1
SCHEMBL27500604 0.67 ALDH1A1 (0.37) ALDH1A1CYP2C19
SCHEMBL720462 0.66 ELANE (0.35) ALDH1A1
SCHEMBL717492 0.66 CYP2C19 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19TGM2
SCHEMBL18725316 0.66 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27486237 0.65 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL285265 0.65 TDP1 (0.47) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 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 (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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ ALDH1A1 3560/4885CYP3A4 2502/4885CYP2C9 1195/4885

“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.