SCHEMBL4086777

SCHEMBL4086777

Cc1ccc(NC(=O)[C@@H](O)[C@H](O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NMT1 P30419 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTR1E P28566 1/20 0.47
S1PR3 Q99500 1/20 0.47
KIF11 P52732 1/20 0.46
TGM2 P21980 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL699996 1.00 MAPT (0.58) MAPTTDP1ALDH1A1LMNAHTT
SCHEMBL18137202 0.83 KMT2A (0.54) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL701232 0.83 KMT2A (0.54) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL14715852 0.82 POLB (0.57) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL1736418 0.82 POLB (0.57) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL1735243 0.82 POLB (0.57) MAPTALDH1A1LMNAHTTPOLB
Cadaverine Tartrate SCHEMBL28055270 0.82 TSHR (0.56) MAPTTDP1ALDH1A1LMNAHTT
SCHEMBL7827059 0.81 KMT2A (0.50) MAPTTDP1ALDH1A1HTTPOLB
SCHEMBL701689 0.81 HTT (0.58) ALDH1A1HTTPOLBNPC1RAB9A
SCHEMBL4100731 0.80 PLG (0.54) MAPTTDP1ALDH1A1LMNAHTT

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-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 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 (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-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885TDP1 4817/4885ALDH1A1 1463/4885

“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.