SCHEMBL17675720

SCHEMBL17675720

C=C1CCCC(C)(C)C1C(=O)CC(C)C(C)C(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TRPA1 O75762 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP4A11 Q02928 2/20 0.32
EPHX1 P07099 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 2/20 0.31
ROCK2 O75116 1/20 0.31
CYP4F2 P78329 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17129708 0.87 HRH3 (0.35) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL14227678 0.85 SLC6A4 (0.39) MEN1KMT2ASLC6A4MAPTCYP3A4
SCHEMBL17675716 0.80 RAB9A (0.36) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16863839 0.78 TRPA1 (0.34) TRPA1
SCHEMBL17036594 0.75 MEN1 (0.39) NPC1MEN1KMT2ASMN1; SMN2SLC6A2
SCHEMBL17675717 0.74 CYP3A4 (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17675721 0.72 RAB9A (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17676150 0.71 ALDH1A1 (0.32) CYP3A4ALDH1A1
SCHEMBL11316490 0.67 TRPA1 (0.36) MEN1KMT2ATRPA1MAPTCYP3A4
SCHEMBL23530425 0.67 TRPA1 (0.39) SMN1; SMN2TRPA1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9885008-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-02-06 US disclosed
US-9885008-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-02-06 US disclosed
US-20160186103-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA 2016-06-30 US disclosed
US-20160186103-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA 2016-06-30 US disclosed
US-9312041-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-04-12 US disclosed
US-9312041-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-04-12 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-20160186103-A1 PHOTOLABILE PRO-FRAGRANCES CUTA, TRPA1, PIR NPC1 3565/4885RAB9A 4280/4885MEN1 1077/4885

“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.