SCHEMBL803887

SCHEMBL803887

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 5/20 0.44
HPGD P15428 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL13537876 1.00 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL803629 1.00 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL803562 0.94 NAAA (0.48) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL803630 0.94 NAAA (0.48) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL13998853 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL26246342 0.92 NAAA (0.52) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL803570 0.87 GRM1 (0.38) ALDH1A1TSHRHCAR2TDP1RAB9A
SCHEMBL803788 0.87 GRM1 (0.38) ALDH1A1TSHRHCAR2TDP1RAB9A
SCHEMBL18464575 0.84 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL23198316 0.82 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 US disclosed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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 (4 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-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 ALDH1A1 2810/4885ATM 1719/4885TSHR 1642/4885
US-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 ALDH1A1 834/4885ATM 4829/4885TSHR 4680/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 ALDH1A1 2734/4885ATM 1656/4885TSHR 1550/4885
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 ALDH1A1 2810/4885ATM 1719/4885TSHR 1642/4885

“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.