SCHEMBL4858485

SCHEMBL4858485

CC1=C[C@H](O)[C@H](C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.39
CNR1 P21554 6/20 0.35
CNR2 P34972 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
DAGLA Q9Y4D2 2/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MAPT P10636 1/20 0.33
OPRM1 P35372 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
NAAA Q02083 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
SCHEMBL4862576 1.00 POLB (0.43) POLBALDH1A1LMNAGAACNR1
SCHEMBL4892187 0.82 TAAR1 (0.38) POLBLMNAMEN1KMT2A
SCHEMBL16888429 0.80 ALDH1A1 (0.56) POLBALDH1A1LMNAGAACNR1
SCHEMBL10708947 0.80 POLB (0.43) POLBALDH1A1LMNAGAACNR1
Formaldehyde SCHEMBL27526645 0.77 ALDH1A1 (0.53) POLBALDH1A1LMNAGAACNR1
Hydrochloric Acid SCHEMBL8926756 0.77 ALDH1A1 (0.41) POLBALDH1A1LMNAGAACNR1
SCHEMBL23847917 0.76 CNR1 (0.53) LMNACNR1CNR2TDP1DAGLA
SCHEMBL180290 0.76 CNR1 (0.53) LMNACNR1CNR2TDP1DAGLA
SCHEMBL21759190 0.76 CNR1 (0.53) LMNACNR1CNR2TDP1DAGLA
SCHEMBL20835188 0.76 CNR1 (0.53) LMNACNR1CNR2TDP1DAGLA

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 6 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-7323576-B2 Synthetic route to dronabinol ALPHORA RESEARCH INC. (CA) 2008-01-29 US claimed
US-20060074252-A1 Synthetic route to dronabinol SANDOZ INC. 2006-04-06 US claimed
US-20080312465-A1 INTERMEDIATE COMPOUNDS IN THE SYNTHESIS OF DRONABINOL ALPHORA RESEARCH INC. (CA) 2008-12-18 US disclosed
US-7323576-B2 Synthetic route to dronabinol ALPHORA RESEARCH INC. (CA) 2008-01-29 US disclosed
US-20060074252-A1 Synthetic route to dronabinol SANDOZ INC. 2006-04-06 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 (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 POLB 164/4885ALDH1A1 2461/4885LMNA 2589/4885
US-20060074252-A1 Synthetic route to dronabinol CNR1, CNR2, CYP8B1 POLB 304/4885ALDH1A1 2626/4885LMNA 3551/4885

“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.