SCHEMBL20126271

SCHEMBL20126271

CCOc1ccc(C(=O)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CCNC P24863 2/20 0.44
CDK8 P49336 2/20 0.44
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TSHR P16473 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL20126166 0.88 MAPT (0.46) KMT2ALMNAALDH1A1HSD17B10MAPT
SCHEMBL20126333 0.83 NQO1 (0.39) KMT2ALMNAALDH1A1HSD17B10MAPT
SCHEMBL20126251 0.80 ALDH1A1 (0.39) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL20129323 0.77 LMNA (0.47) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL11299893 0.77 MAPT (0.55) KMT2ACCNCCDK8LMNAALDH1A1
SCHEMBL9291194 0.76 KMT2A (0.53) KMT2ACCNCCDK8LMNAALDH1A1
SCHEMBL5961785 0.76 KMT2A (0.53) KMT2ACCNCCDK8LMNAALDH1A1
SCHEMBL11412571 0.76 KMT2A (0.53) KMT2ACCNCCDK8LMNAALDH1A1
SCHEMBL9905987 0.75 KMT2A (0.73) KMT2ACCNCCDK8LMNAALDH1A1
SCHEMBL2455357 0.75 KMT2A (0.73) KMT2ACCNCCDK8LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 KMT2A 2766/4885CCNC 1041/4885CDK8 2156/4885

“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.