SCHEMBL3512995

SCHEMBL3512995

C=C1[C@H]2C[C@@H]3C[C@H](O)C(C)=C(CC[C@]2(C)CC[C@@H]1O)C3(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
TRPA1 O75762 1/20 0.32
EP300 Q09472 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
SCHEMBL4810887 1.00 HDAC6 (0.40) HDAC6TRPA1EP300
SCHEMBL14153661 0.84 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL713065 0.84 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL17590204 0.84 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL12420173 0.84 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL1890724 0.84 HDAC6 (0.59) HDAC6TRPA1EP300
SCHEMBL14153660 0.72 HDAC6 (0.32) HDAC6TRPA1EP300
SCHEMBL4810675 0.70
SCHEMBL19657980 0.70 HDAC6 (0.59) HDAC6
SCHEMBL4808900 0.70

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-20100297722-A1 TRANSGENIC MOSS PRODUCING TERPENOIDS BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) 2010-11-25 US claimed
US-20100297722-A1 TRANSGENIC MOSS PRODUCING TERPENOIDS BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) 2010-11-25 US disclosed
US-7402417-B2 P450 oxygenases and methods of use WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-07-22 US disclosed
US-20060179507-A1 P450 oxygenases and methods of use WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION 2006-08-10 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-20060179507-A1 P450 oxygenases and methods of use CYP3A5, DPYD, CYP2A13 HDAC6 3529/4885TRPA1 4682/4885EP300 3957/4885

“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.