SCHEMBL16624901

SCHEMBL16624901

CCOC(=O)CC(c1ccccc1)C(C)C(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
F10 P00742 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNA5 P22460 1/20 0.40
CYP2D6 P10635 1/20 0.40
USP2 O75604 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL16624893 0.93 MEN1 (0.48) F2CYP3A4CYP2C19NPSR1CYP1A2
SCHEMBL16624912 0.88 NPSR1 (0.48) F2NPSR1CYP1A2ALDH1A1KMT2A
SCHEMBL16624915 0.88 SMN1; SMN2 (0.44) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL16624908 0.88 KCNA5 (0.53) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL16624922 0.87 CYP3A4 (0.41) F2CYP3A4CYP2C19NPSR1CYP1A2
SCHEMBL19071630 0.87 CYP3A4 (0.39) F2CYP3A4CYP2C19NPSR1CYP1A2
SCHEMBL16624928 0.86 CYP1B1 (0.41) F2CYP3A4CYP2C19NPSR1CYP1A2
SCHEMBL16624891 0.84 LMNA (0.45) CYP3A4CYP2C19NPSR1CYP1A2CYP2C9
SCHEMBL5972748 0.84 TSHR (0.55) F2CYP3A4CYP2C19ALDH1A1TSHR
SCHEMBL5231181 0.81 TSHR (0.50) F2CYP3A4CYP2C19ALDH1A1TSHR

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 F2 484/4885CYP3A4 716/4885CYP2C19 1384/4885

“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.