SCHEMBL4892187

SCHEMBL4892187

CC(N)c1ccccc1.CC1=C[C@H](O)[C@H](C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
EPHX1 P07099 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.33
DPP4 P27487 1/20 0.33
HTT P42858 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
ADRA2A P08913 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
Bicarbonate SCHEMBL27964415 0.70 LMNA (0.54) CYP2D6MAPK1LMNADPP4ADRA2A
Oxalic Acid SCHEMBL28194607 0.68 LMNA (0.52) CYP2D6MAPK1LMNADPP4ADRA2A
Acetic Acid SCHEMBL432495 0.68 LMNA (0.52) CYP2D6MAPK1LMNADPP4ADRA2A
Acetic Acid SCHEMBL28010039 0.68 LMNA (0.52) CYP2D6MAPK1LMNADPP4ADRA2A
Acetone SCHEMBL27900518 0.68 LMNA (0.52) CYP2D6MAPK1LMNADPP4ADRA2A
Acetic Acid SCHEMBL28490384 0.68 LMNA (0.52) CYP2D6MAPK1LMNADPP4ADRA2A
SCHEMBL27361686 0.67 PTGS2 (0.62) CYP3A4CYP2D6TSHRMAPK1HSD17B10
SCHEMBL7409962 0.67 PTGS2 (0.62) CYP3A4CYP2D6TSHRMAPK1HSD17B10
SCHEMBL7518763 0.67 GRM2 (0.38) TAAR1CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL5304613 0.67 GRM2 (0.38) TAAR1CYP3A4CYP1A2CYP2D6TSHR

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-20080312465-A1 INTERMEDIATE COMPOUNDS IN THE SYNTHESIS OF DRONABINOL ALPHORA RESEARCH INC. (CA) 2008-12-18 US claimed
US-20060074252-A1 Synthetic route to dronabinol SANDOZ INC. 2006-04-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080312465-A1 INTERMEDIATE COMPOUNDS IN THE SYNTHESIS OF DRONABINOL CNR1, CNR2, CYP8B1 TAAR1 1728/4885CYP3A4 249/4885CYP1A2 210/4885
US-20060074252-A1 Synthetic route to dronabinol CNR1, CNR2, CYP8B1 TAAR1 982/4885CYP3A4 226/4885CYP1A2 253/4885

“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.