SCHEMBL20126166

SCHEMBL20126166

CCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C4CC(C)(C)N(OC)C(C)(C)C4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPK1 P28482 3/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GLA P06280 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
SCHEMBL20126271 0.88 KMT2A (0.47) MAPTLMNAKMT2ATHRBKDM4E
SCHEMBL20126211 0.88 ALDH1A1 (0.43) MAPTLMNANPC1CYP1A2CYP2C19
SCHEMBL20126333 0.79 NQO1 (0.39) MAPTSMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL20126332 0.76 ALDH1A1 (0.45) MAPTLMNANPC1CYP1A2CYP2C19
SCHEMBL12125149 0.76 MAPT (0.66) MAPTSMN1; SMN2PRSS1ACRLMNA
SCHEMBL11294252 0.76 MAPT (0.53) MAPTSMN1; SMN2PRSS1ACRLMNA
SCHEMBL9292054 0.74 LMNA (0.51) MAPTSMN1; SMN2PRSS1ACRLMNA
SCHEMBL11405311 0.74 KMT2A (0.50) MAPTSMN1; SMN2PRSS1ACRLMNA
SCHEMBL9905870 0.74 LMNA (0.65) MAPTSMN1; SMN2PRSS1ACRLMNA
SCHEMBL17515627 0.74 LMNA (0.65) MAPTSMN1; SMN2PRSS1ACRLMNA

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 MAPT 3166/4885SMN1; SMN2 4549/4885PRSS1 1960/4885

“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.