SCHEMBL1222344

SCHEMBL1222344

CC(O)(C(=O)O)c1ccccc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HTR2C P28335 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CYP2D6 P10635 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 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
SCHEMBL3678967 0.78 RBP4 (0.48) RBP4PTGDR2HTR2CCYP2D6CYP2C9
SCHEMBL1789474 0.77 PTGDR2 (0.47) RBP4PTGDR2HTR2CMEN1KMT2A
SCHEMBL16335849 0.75 HTR2C (0.44) RBP4PTGDR2HTR2CCYP2D6USP2
SCHEMBL1789472 0.75 PTGDR2 (0.44) RBP4PTGDR2HTR2CMEN1KMT2A
SCHEMBL4967978 0.73 ALDH1A1 (0.46) RBP4KEAP1NFE2L2CYP2D6CYP1A2
SCHEMBL28001794 0.73 PTGDR2 (0.43) RBP4PTGDR2HPGD
Bicarbonate SCHEMBL27568235 0.73 PTGDR2 (0.59) PTGDR2MEN1KMT2APTGS2HPGD
SCHEMBL11863760 0.73 HTR2C (0.42) RBP4PTGDR2KEAP1NFE2L2HTR2C
Hydrogen Peroxide SCHEMBL11398422 0.70 PTGDR2 (0.55) PTGDR2MEN1KMT2APTGS2HPGD
Hydrogen Peroxide SCHEMBL3679819 0.70 PTGDR2 (0.55) PTGDR2MEN1KMT2APTGS2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2011-02-24 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-20110044923-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM CUTA, DPM1, TRPA1 RBP4 2791/4885PTGDR2 2610/4885KEAP1 1651/4885

“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.