SCHEMBL718143

SCHEMBL718143

CC1=CCC(C)C(C)C1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL22886806 0.75 TSHR (0.35) TSHRMAPK1
SCHEMBL22590926 0.75 TSHR (0.30) TSHRMAPK1
SCHEMBL12856614 0.75 TSHR (0.30) TSHRMAPK1
SCHEMBL18295130 0.72
SCHEMBL11924442 0.70
SCHEMBL19480687 0.69
SCHEMBL6911780 0.68
SCHEMBL17929018 0.68
SCHEMBL17929019 0.68
SCHEMBL12677139 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399897-B1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND UNIV UTSUNOMIYA (JP) 2015-08-12 EP disclosed
US-8716501-B2 Method for producing oxygen-containing compound UTSUNOMIYA UNIVERSITY (JP) 2014-05-06 US disclosed
US-20120053354-A1 Method for Producing Oxygen-Containing Compound UTSUNOMIYA UNIVERSITY (JP) 2012-03-01 US disclosed
EP-2399897-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Utsunomiya University (JP) 2011-12-28 EP disclosed
US-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-12-03 US disclosed
CN-101429455-A Hydrocracking process for fabricating distillate from fisher-tropsch waxes UOP LLC (US) 2009-05-13 CN disclosed
EP-1908743-A1 (ALKYLPHENYL)ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL)ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-09 EP 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-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL CCNA2, ACACB, PARP8 TSHR 3466/4885MAPK1 4259/4885

“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.