SCHEMBL22258797

SCHEMBL22258797

CCCCCCCC1CCC(c2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.79
MAPT P10636 3/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.56
SPHK1 Q9NYA1 5/20 0.46
APAF1 O14727 1/20 0.44
RGS12 O14924 1/20 0.44
HSP90AA1 P07900 1/20 0.44
DGAT1 O75907 4/20 0.43
SOAT1 P35610 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
GAA P10253 1/20 0.42
ESR2 Q92731 1/20 0.41

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
SCHEMBL11340160 0.99 CYP2C9 (0.81) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL11340158 0.99 CYP2C9 (0.81) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10832489 0.97 CYP2C9 (0.79) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10832486 0.97 CYP2C9 (0.79) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10832483 0.97 CYP2C9 (0.79) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9973108 0.95 CYP2C9 (0.75) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL11524858 0.95 CYP2C9 (0.75) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL29799677 0.90 CYP2C9 (0.67) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8290975 0.88 CYP2C9 (1.00) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL28215189 0.88 CYP2C9 (0.73) CYP2C9MAPTALDH1A1LMNAMEN1

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-10982148-B2 Liquid crystal device, method for producing same, and compound JSR CORPORATION (JP) 2021-04-20 US disclosed
US-20200231875-A1 LIQUID CRYSTAL DEVICE, METHOD FOR PRODUCING SAME, AND COMPOUND JSR CORPORATION (JP) 2020-07-23 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 (2 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-10982148-B2 Liquid crystal device, method for producing same, and compound NLK, DDC, SET CYP2C9 631/4885MAPT 472/4885ALDH1A1 3818/4885
US-20200231875-A1 LIQUID CRYSTAL DEVICE, METHOD FOR PRODUCING SAME, AND COMPOUND NLK, DDC, SET CYP2C9 631/4885MAPT 472/4885ALDH1A1 3818/4885

“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.