SCHEMBL20128404

SCHEMBL20128404

CCCc1ccc(C(=O)Oc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
THRB P10828 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PRSS1 P07477 4/20 0.37
ACR P10323 2/20 0.37
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
F2 P00734 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TMPRSS2 O15393 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
SCHEMBL20126276 0.86 THRB (0.40) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL20129323 0.84 LMNA (0.47) MAPTSMN1; SMN2KMT2ARAB9APRSS1
SCHEMBL20128405 0.80 SPHK1 (0.35) RARB
SCHEMBL11300563 0.80 MAPT (0.53) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL11412641 0.79 MAPT (0.46) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL11412615 0.79 MAPT (0.46) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL10633416 0.78 THRB (0.62) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL30354554 0.78 THRB (0.62) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL11412000 0.78 CYP2C9 (0.46) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL11411710 0.78 CYP2C9 (0.46) MAPTTHRBSMN1; 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 1 patent. 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

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 3166/4885THRB 3896/4885SMN1; 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.