SCHEMBL17491069

SCHEMBL17491069

CC1(C)CC(c2cc(C(=O)O)c3ccccc3c2-c2c(C3CC(C)(C)NC(C)(C)C3)cc(C(=O)O)c3ccccc23)CC(C)(C)N1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.39
EZH2 Q15910 4/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
ATIC P31939 1/20 0.36

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
SCHEMBL679141 0.80 ALOX15 (0.55) ALOX15GAAKMT2APOLBEZH2
SCHEMBL29903216 0.80 ALOX15 (0.55) ALOX15GAAKMT2APOLBEZH2
SCHEMBL17491070 0.74 ALOX15 (0.40) ALOX15GAAKMT2APOLBEZH2
SCHEMBL27514891 0.73 EZH2 (0.44) ALOX15GAAKMT2APOLBEZH2
SCHEMBL27642034 0.72 KDM4E (0.41) ALOX15GAAPOLBEZH2HTT
SCHEMBL28020138 0.72 ALOX15 (0.52) ALOX15GAAKMT2APOLBEZH2
SCHEMBL453481 0.71 ALOX15 (0.48) ALOX15GAAKMT2APOLBEZH2
Phthalic Acid SCHEMBL11485468 0.70 ALOX15 (0.61) ALOX15GAAKMT2APOLBEZH2
SCHEMBL16749053 0.70 ALDH1A1 (0.44) ALOX15GAAKMT2APOLBEZH2
SCHEMBL17509215 0.70 GAA (0.47) GAAKMT2APOLBEZH2KDM4E

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
EP-2982731-B1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-08 EP disclosed
US-9643924-B2 Piperidine derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-09 US disclosed
US-20160039758-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-11 US disclosed
EP-2982731-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2016-02-10 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 (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-20160039758-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, CCND1 ALOX15 1458/4885GAA 4581/4885KMT2A 1730/4885

“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.