SCHEMBL20129323

SCHEMBL20129323

COc1ccc(C(=O)Oc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GFER P55789 1/20 0.45
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GAA P10253 1/20 0.42
GBA1 P04062 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL20128404 0.84 MAPT (0.43) SMN1; SMN2KMT2AMAPTPRSS1ACR
SCHEMBL20128521 0.82 ALDH1A1 (0.43) SMN1; SMN2KMT2AALDH1A1MAPTGAA
SCHEMBL13554256 0.79 GAA (0.53) SMN1; SMN2CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL20126271 0.77 KMT2A (0.47) LMNAKMT2AALDH1A1MAPTKDM4E
SCHEMBL11298774 0.77 MAPT (0.70) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9291383 0.76 ALDH1A1 (0.54) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL13038164 0.76 MAPT (0.54) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL11416082 0.76 MAPT (0.54) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL7591660 0.75 LMNA (0.75) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9666088 0.75 LMNA (0.75) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19

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 LMNA 1907/4885SMN1; SMN2 4549/4885CYP1A2 61/4885

“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.