SCHEMBL3494517

SCHEMBL3494517

CCc1ccccc1C(=O)C(CC(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 2/20 0.40
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
FOLH1 Q04609 3/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PTPN1 P18031 2/20 0.35
F2R P25116 1/20 0.35

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
SCHEMBL3494676 0.86 PTPN1 (0.47) KMT2AALDH1A1LMNAMEN1PTPN1
SCHEMBL12985387 0.80 ALDH1A1 (0.41) CLCN2KMT2AALDH1A1LMNAFOLH1
SCHEMBL9650318 0.78 CYP2C19 (0.46) CLCN2KMT2AALDH1A1FOLH1POLB
SCHEMBL8114342 0.77 CLCN2 (0.42) CLCN2KMT2AALDH1A1FOLH1POLB
SCHEMBL10276952 0.76 CLCN2 (0.43) CLCN2KMT2AALDH1A1POLBHTT
SCHEMBL6983533 0.75 CLCN2 (0.39) CLCN2KMT2AALDH1A1FOLH1POLB
Hydrogen Peroxide SCHEMBL11781319 0.74 CLCN2 (0.49) CLCN2ALDH1A1LMNAFOLH1HTT
SCHEMBL3364147 0.73 CLCN2 (0.41) CLCN2KMT2AALDH1A1FOLH1HTT
Benzene SCHEMBL28132336 0.72 LMNA (0.53) CLCN2KMT2AALDH1A1LMNAMEN1
SCHEMBL390944 0.72 LMNA (0.53) CLCN2KMT2AALDH1A1LMNAMEN1

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 CLCN2 2983/4885KMT2A 952/4885ALDH1A1 1062/4885

“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.