SCHEMBL20126276

SCHEMBL20126276

C/C=C/N1C(C)(C)CC(c2ccc(OC(=O)c3ccc(CCC)cc3)cc2)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PRSS1 P07477 2/20 0.34
ACR P10323 1/20 0.34
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
F2 P00734 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ALOX5 P09917 1/20 0.33

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
SCHEMBL20126180 0.90 TP53 (0.39) THRBMAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL20128404 0.86 MAPT (0.43) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL20126259 0.82 HRH3 (0.40) KMT2ANPC1RAB9ASENP8SENP7
SCHEMBL20126338 0.81 SPHK1 (0.33)
SCHEMBL20126119 0.76 NPC1 (0.39) KMT2ANPC1RAB9A
SCHEMBL11300563 0.76 MAPT (0.53) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL20126147 0.75 CYP3A4 (0.38) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL11412641 0.74 MAPT (0.46) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL11412615 0.74 MAPT (0.46) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL30354554 0.74 THRB (0.62) THRBMAPTSMN1; SMN2KMT2APLA2G1B

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 THRB 3896/4885MAPT 3166/4885SMN1; SMN2 4549/4885

“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.