SCHEMBL14017691

SCHEMBL14017691

CC(C)(Oc1ccc(CCNC(=O)c2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.80
SMN1; SMN2 Q16637 4/20 0.80
ALDH1A1 P00352 2/20 0.80
PPARG P37231 2/20 0.80
FABP2 P12104 1/20 0.80
PPARD Q03181 1/20 0.80
ESRRG P62508 5/20 0.66
ESRRB O95718 2/20 0.66
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
GFER P55789 1/20 0.58
PKM P14618 1/20 0.57

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
SCHEMBL22943060 0.90 PPARA (0.80) PPARASMN1; SMN2ALDH1A1PPARGFABP2
Bezafibrate SCHEMBL16299 0.89 PPARA (1.00) PPARASMN1; SMN2ALDH1A1PPARGFABP2
Bezafibrate SCHEMBL5077755 0.89 PPARA (1.00) PPARASMN1; SMN2ALDH1A1PPARGFABP2
Bezafibrate SCHEMBL3088387 0.88 PPARA (0.98) PPARASMN1; SMN2ALDH1A1PPARGFABP2
Bezafibrate SCHEMBL22364278 0.88 PPARA (0.98) PPARASMN1; SMN2ALDH1A1PPARGFABP2
Bezafibrate SCHEMBL28565716 0.88 PPARA (0.98) PPARASMN1; SMN2ALDH1A1PPARGFABP2
SCHEMBL11687764 0.87 PPARA (0.75) PPARASMN1; SMN2ALDH1A1PPARGFABP2
SCHEMBL11683879 0.86 PPARA (0.74) PPARASMN1; SMN2ALDH1A1PPARGFABP2
Bezafibrate SCHEMBL15156489 0.85 PPARA (0.91) PPARASMN1; SMN2ALDH1A1PPARGFABP2
SCHEMBL11509548 0.83 PPARA (0.67) PPARASMN1; SMN2ALDH1A1PPARGFABP2

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-7439394-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2008-10-21 US disclosed
US-7439394-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2008-10-21 US disclosed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 US disclosed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 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-20070117803-A1 Cyclohexyl-1,4-diamine compounds PKD1, DDC, DPYD PPARA 3433/4885SMN1; SMN2 1061/4885ALDH1A1 158/4885

“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.