SCHEMBL4913369

SCHEMBL4913369

C=C(C(=O)O)C(C1CC2CCC1(C)C2(C)C)C1CC2CCC1(C)C2(C)C.C=C(C=CC(=O)O)C(=O)OCC(C)C.C=CC(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
ELANE P08246 2/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL1079138 0.88 CYP2C19 (0.42) CYP2C19ELANEKDM4EGAAMAPT
Acrylic Acid SCHEMBL2129070 0.83 CYP2C19 (0.40) CYP2C19ELANEGAAMAPTALDH1A1
SCHEMBL644739 0.79 CYP2C19 (0.50) CYP2C19ELANEKDM4EGAAMAPT
SCHEMBL645585 0.78 TSHR (0.43) CYP2C19ELANEGAAMAPTALDH1A1
Acrylic Acid SCHEMBL4888290 0.78 CYP2C19 (0.43) CYP2C19ELANEKDM4EGAAMAPT
Maleic Acid SCHEMBL1664727 0.77 CYP2C19 (0.59) CYP2C19ELANEKDM4EGAAMAPT
SCHEMBL645426 0.76 TSHR (0.43) CYP2C19ELANEKDM4EGAAMAPT
Acrylic Acid SCHEMBL15775512 0.75 CYP2C19 (0.42) CYP2C19ELANEMAPTALDH1A1LMNA
SCHEMBL35201 0.75 HTT (0.40) CYP2C19ELANEKDM4EMAPTNPSR1
Acrylic Acid Methyl Ester SCHEMBL1474630 0.75 CYP2C19 (0.47) CYP2C19ELANEKDM4EGAAMAPT

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-8852564-B2 Cosmetic composition combining a copolymer, a non-volatile oil and a glossy oil L'OREAL (FR) 2014-10-07 US disclosed
US-20080025934-A1 Cosmetic composition combining a copolymer, a non-volatile oil and a glossy oil L'OREAL (FR) 2008-01-31 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-20080025934-A1 Cosmetic composition combining a copolymer, a non-volatile oil and a glossy oil CUTA, GRM1, MGLL CYP2C19 478/4885ELANE 1207/4885KDM4E 2795/4885

“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.