SCHEMBL10042745

SCHEMBL10042745

CC(C)(C)[C@@H]1C[C@@H]1CCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.38
CNR1 P21554 5/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL15187735 0.81 CNR2 (0.51) CNR2CNR1TSHRALDH1A1TP53
SCHEMBL30580352 0.75
SCHEMBL21162409 0.71
SCHEMBL15185115 0.70
SCHEMBL15423551 0.70
SCHEMBL10147736 0.70 SI (0.46)
SCHEMBL16916993 0.70 SI (0.46)
SCHEMBL14179375 0.68 SI (0.50) CYP3A4
SCHEMBL17521845 0.68 SI (0.50) CYP3A4
SCHEMBL14546126 0.67 ALOX5 (0.48) CNR2CNR1TSHRALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052090-A1 PEPTIDIC ANTIGEN THAT INDUCES ANTIBODY RECOGNIZING THREE-DIMENSIONAL STRUCTURE OF HIV AND METHOD FOR SYNTHESIZING SAME NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 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-20120052090-A1 PEPTIDIC ANTIGEN THAT INDUCES ANTIBODY RECOGNIZING THREE-DIMENSIONAL STRUCTURE OF HIV AND METHOD FOR SYNTHESIZING SAME CD4, VIP, TIMCC CNR2 4428/4885CNR1 3935/4885TSHR 3602/4885

“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.