SCHEMBL3604445

SCHEMBL3604445

Cc1cc2c(c(C)c1NC(=O)O)C(c1ccc(C(C)C)cc1)CO2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP19A1 P11511 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 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
SCHEMBL3594162 0.87 MAPT (0.33) MAPTSMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL3586968 0.87 L3MBTL1 (0.41)
SCHEMBL3596668 0.87 L3MBTL1 (0.41)
SCHEMBL3595463 0.87 L3MBTL1 (0.41)
SCHEMBL3589594 0.84 MAPT (0.37) MAPTSMN1; SMN2TP53ALDH1A1CYP19A1
SCHEMBL3602262 0.81 MAPT (0.38) MAPTSMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL3605777 0.81 SMN1; SMN2 (0.33) MAPTSMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL3601345 0.81 LTB4R (0.38) MAPTSMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL3589595 0.81 MAPT (0.35) MAPTSMN1; SMN2TP53ALDH1A1CYP19A1
SCHEMBL3599057 0.78 MAPT (0.39) MAPTSMN1; SMN2TP53ALDH1A1CYP19A1

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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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 (3 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 MAPT 4392/4885SMN1; SMN2 4180/4885TP53 4621/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885SMN1; SMN2 4180/4885TP53 4621/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885SMN1; SMN2 4180/4885TP53 4621/4885

“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.