SCHEMBL13312938

SCHEMBL13312938

CCC(C)[C@@H]1CCC[C@H]1CO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
PABPC1 P11940 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6909002 0.86 CA1 (0.34) CA1CA2CA4
SCHEMBL17696522 0.83
SCHEMBL9918285 0.80 TRPA1 (0.35) CA1CA2CA4PABPC1APOBEC3A
SCHEMBL12418395 0.80 TRPA1 (0.35) CA1CA2CA4PABPC1APOBEC3A
SCHEMBL12418390 0.80 TRPA1 (0.35) CA1CA2CA4PABPC1APOBEC3A
SCHEMBL12418391 0.80 TRPA1 (0.35) CA1CA2CA4PABPC1APOBEC3A
SCHEMBL12418393 0.80 TRPA1 (0.35) CA1CA2CA4PABPC1APOBEC3A
SCHEMBL29107811 0.80 CA1 (0.39) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL30492005 0.80 CA1 (0.39) CA1CA2CA4CYP1A2CYP2D6
SCHEMBL29107520 0.80 CA1 (0.39) CA1CA2CA4CYP1A2CYP2D6

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-7732424-B2 for reducing animal core temperatures and rate of oxygen consumption; protecting against myocardial damage during cardioplegia; cardiovascular disease, neurological disorders, ophthalmic conditions, ischemic conditions, reperfusion injury, obesity, wasting disease, and/or diabetes INOTEK PHARMACEUTICALS CORPORATION (US) 2010-06-08 US disclosed
US-20070191301-A1 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-08-16 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-20070191301-A1 Purine derivatives and methods of use thereof P2RY1, PNP, ADORA2A CA1 2632/4885CA2 1860/4885CA4 3648/4885

“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.