SCHEMBL4462159

SCHEMBL4462159

C=CC(=O)OCc1c(C)cc(C(C)(C)C)c(O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.41
LMNA P02545 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
PTGS2 P35354 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1D P28221 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
SCHEMBL11769547 0.81 CYP2C19 (0.43) CYP2C19LMNACYP3A4CYP1A2CYP2D6
SCHEMBL9242528 0.80 GAA (0.40) LMNACYP3A4CYP1A2CYP2D6MEN1
SCHEMBL11099354 0.80 CYP2C19 (0.42) CYP2C19LMNACYP3A4CYP1A2CYP2D6
SCHEMBL11232750 0.80 GAA (0.47) CYP2C19LMNACYP3A4CYP1A2CYP2D6
SCHEMBL11583200 0.80 HSPA5 (0.54) CYP2C19LMNACYP3A4CYP1A2CYP2D6
SCHEMBL10873904 0.80 TDP1 (0.47) CYP2C19LMNACYP3A4CYP1A2CYP2D6
SCHEMBL11772892 0.80 CYP2C19 (0.42) CYP2C19LMNACYP3A4CYP1A2CYP2D6
SCHEMBL9721288 0.79 HSPA5 (0.57) CYP2C19CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL31122152 0.79 HSPA5 (0.57) CYP2C19CYP3A4CYP1A2CYP2D6MEN1
SCHEMBL2265057 0.79 GAA (0.55) CYP2C19LMNACYP3A4CYP1A2CYP2D6

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-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. 2009-08-13 US disclosed
WO-2007120749-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. (US) 2007-10-25 WO 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-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS SMCHD1, SMC1A, SI CYP2C19 561/4885LMNA 348/4885CYP3A4 1718/4885

“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.