SCHEMBL1689459

SCHEMBL1689459

COC1CCC(C2CCC(OC(=O)c3cc(C)cc(C)c3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C19 P33261 1/20 0.55
NR1I2 O75469 1/20 0.55
SERPINE1 P05121 2/20 0.50
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
MAPT P10636 1/20 0.38
HSD17B10 Q99714 2/20 0.38
GMNN O75496 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL16015361 0.88 MEN1 (0.55) CYP1A2CYP2D6HTR3EHTR3BHTR3A
SCHEMBL13415419 0.88 MEN1 (0.55) CYP1A2CYP2D6HTR3EHTR3BHTR3A
SCHEMBL18027650 0.88 KMT2A (0.55) CYP1A2CYP2D6HTR3EHTR3BHTR3A
SCHEMBL1688859 0.85 CYP1A2 (0.52) CYP1A2CYP2D6HTR3EHTR3BHTR3A
SCHEMBL1688862 0.84 CYP1A2 (0.51) CYP1A2CYP2D6HTR3EHTR3BHTR3A
SCHEMBL27815808 0.80 MEN1 (0.60) CYP1A2CYP2D6HTR3EHTR3BHTR3A
SCHEMBL13038153 0.79 SCN1A (0.67) MEN1KMT2ASERPINE1SCN1ASCN2A
SCHEMBL13308499 0.78 MEN1 (0.46) CYP1A2CYP2D6HTR3EHTR3BHTR3A
SCHEMBL27134190 0.78 MEN1 (0.54) CYP1A2CYP2D6HTR3EHTR3BHTR3A
SCHEMBL7301448 0.78 CYP2D6 (0.57) CYP1A2CYP2D6HTR3EHTR3BHTR3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-8829153-B2 Polyimide precursor composition containing polyamic acid alkyl ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-09 US disclosed
US-20120101236-A1 POLYIMIDE PRECURSOR COMPOSITION CONTAINING POLYAMIC ACID ALKYL ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-26 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 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-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 CYP1A2 4533/4885CYP2D6 4845/4885HTR3E 4622/4885

“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.