SCHEMBL178864

SCHEMBL178864

CC1(C)CC(=O)C=C(CC#N)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 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
SCHEMBL19621118 0.76 LMNA (0.50) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL1071303 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7057576 0.73 LMNA (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3181274 0.71 PAX8 (0.50) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL20370331 0.70 MAPT (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9348083 0.69 L3MBTL1 (0.31)
SCHEMBL107302 0.69 MAPT (0.42) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL14838496 0.69 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ALMNAMAPT
Cyanate SCHEMBL21568770 0.68 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
Cyanate SCHEMBL1901115 0.68 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT

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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 ALDH1A1 371/4885MEN1 4480/4885KMT2A 3041/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS ALDH1A1 378/4885MEN1 4473/4885KMT2A 2961/4885

“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.