SCHEMBL16624925

SCHEMBL16624925

CC(C(=O)c1ccccc1)C(CC(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.46
HTR2A P28223 2/20 0.46
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44

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
SCHEMBL16624891 0.90 LMNA (0.45) ALDH1A1LMNASMN1; SMN2NPSR1TDP1
SCHEMBL16624899 0.86 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2NPSR1L3MBTL1
SCHEMBL9468273 0.85 GABBR2 (0.47) CYP2C19GABBR2GABBR1FFAR1CYP2D6
SCHEMBL16624926 0.83 KCNA5 (0.58) ALDH1A1LMNASMN1; SMN2NPSR1TDP1
SCHEMBL16624893 0.81 MEN1 (0.48) ALDH1A1LMNASMN1; SMN2NPSR1TDP1
SCHEMBL25152144 0.81 TAAR1 (0.55) LMNACES2CES1CYP3A4TSHR
SCHEMBL1234229 0.81 TAAR1 (0.55) LMNACES2CES1CYP3A4TSHR
SCHEMBL25152385 0.81 TAAR1 (0.55) LMNACES2CES1CYP3A4TSHR
SCHEMBL12473262 0.80 GABBR2 (0.57) ALDH1A1LMNASMN1; SMN2NPSR1TDP1
SCHEMBL6449839 0.79 GABBR2 (0.48) LMNACYP3A4TSHRCYP2C19HSD17B10

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-9458081-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-10-04 US disclosed
US-9458081-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-10-04 US disclosed
US-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 US disclosed
US-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-04-09 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-20150099809-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 ALDH1A1 236/4885LMNA 1058/4885SMN1; SMN2 2584/4885

“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.