SCHEMBL1740252

SCHEMBL1740252

CCC1CC1(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
LPAR1 Q92633 1/20 0.50
FAAH O00519 1/20 0.49
P2RX7 Q99572 1/20 0.42
HSD17B10 Q99714 2/20 0.41
EPHX1 P07099 1/20 0.40
HTT P42858 2/20 0.40
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
CTSL P07711 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
Benzoic Acid SCHEMBL1739284 0.96 MAPK1 (0.56) MAPK1CYP2C19LPAR1FAAHP2RX7
SCHEMBL25199373 0.77 MAPK1 (0.51) MAPK1CYP2C19LPAR1FAAHP2RX7
SCHEMBL7417055 0.75 MAPK1 (1.00) MAPK1CYP2C19FAAHP2RX7HSD17B10
SCHEMBL544544 0.72 CYP2C19 (0.46) MAPK1CYP2C19FAAHHSD17B10KDM4E
SCHEMBL544684 0.71 CYP2C19 (0.44) MAPK1CYP2C19FAAHHSD17B10KDM4E
SCHEMBL23833806 0.70 MAPK1 (0.44) MAPK1CYP2C19LPAR1FAAHP2RX7
SCHEMBL8022535 0.70 CYP2C19 (0.52) MAPK1CYP2C19FAAHHTTALDH1A1
SCHEMBL10071259 0.70 CYP3A4 (0.46) MAPK1CYP2C19FAAHP2RX7HSD17B10
SCHEMBL18314645 0.69 ADRB2 (0.52) MAPK1CYP2C19FAAHHSD17B10HTT
SCHEMBL1687973 0.68 KMT2A (0.39) MAPK1LPAR1EPHX1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-12-29 US disclosed
EP-2389366-A1 BENZODIAZEPIN-2-ON DERIVATIVES MSD K.K. (JP) 2011-11-30 EP disclosed
US-8040502-B2 Optical inspection of flat media using direct image technology WDI WISE DEVICE INC. (CA) 2011-10-18 US disclosed
WO-2010084979-A1 BENZODIAZEPIN-2-ON DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-07-29 WO 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-20110319396-A1 BENZODIAZEPIN-2-ON DERIVATIVES DGAT1, DGAT2, GRIN1 MAPK1 1869/4885CYP2C19 1076/4885LPAR1 900/4885

“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.