SCHEMBL20129423

SCHEMBL20129423

CCCCCC1CCC(c2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ESR2 Q92731 3/20 0.40
SPHK1 Q9NYA1 6/20 0.39
CYP3A4 P08684 2/20 0.36
CYP2C8 P10632 1/20 0.36
S1PR3 Q99500 1/20 0.36
GAA P10253 1/20 0.36
ESR1 P03372 1/20 0.36
S1PR1 P21453 1/20 0.35

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
SCHEMBL20128878 0.90 CYP2C9 (0.54) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL9399116 0.82 CYP2C9 (0.54) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL10579686 0.82 CYP2C9 (0.54) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL10618609 0.82 CYP2C9 (0.50) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL11199910 0.81 SPHK1 (0.54) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL11192887 0.81 CYP2C9 (0.53) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL11193199 0.81 SPHK1 (0.54) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL11199904 0.81 SPHK1 (0.54) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL11196171 0.81 SPHK1 (0.54) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL11193637 0.81 SPHK1 (0.54) CYP2C9MEN1KMT2AMAPTALDH1A1

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 CYP2C9 348/4885MEN1 4808/4885KMT2A 2766/4885

“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.