SCHEMBL2816219

SCHEMBL2816219

CCCC[C@@]1(O)C=C[C@H](OC(C)=O)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.33
DNTT P04053 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL2816221 1.00 POLA1 (0.33) POLA1DNTTPOLBCA12CA9
SCHEMBL30897118 0.84 CA12 (0.33) CA12CA9
SCHEMBL2813755 0.72 TSHR (0.35) CA12CA9ALDH1A1
SCHEMBL2813758 0.72 TSHR (0.35) CA12CA9ALDH1A1
SCHEMBL10871135 0.67 POLA1 (0.38) POLA1DNTTPOLB
SCHEMBL13168805 0.65 HSD17B3 (0.35) ALDH1A1
SCHEMBL2816300 0.64 CA12 (0.31) CA12CA9
SCHEMBL11548379 0.60 CA12 (0.42) POLBCA12CA9
SCHEMBL8354298 0.60 CA12 (0.42) POLBCA12CA9ALDH1A1
SCHEMBL2290500 0.60 CA12 (0.42) POLBCA12CA9

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-8318804-B2 Antiviral activity of cyclopentene nitro-ester and derivatives UNIVERSITY OF SOUTH FLORIDA (US) 2012-11-27 US disclosed
US-8236853-B1 Formation of cyclopentene nitro-ester and derivatives UNIVERSITY OF SOUTH FLORIDA (US) 2012-08-07 US disclosed
US-20100249230-A1 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-30 US disclosed
WO-2009076397-A2 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-18 WO 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-20100249230-A1 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES CYP51A1, CES2, DDT POLA1 90/4885DNTT 365/4885POLB 58/4885

“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.