SCHEMBL16624159

SCHEMBL16624159

CC(C)=CCC/C(C)=C/COC(=O)CC(c1ccccc1)C(C)C(=O)c1ccc(OCC[N+]2(C)CCC(C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL16624160 0.85 SMN1; SMN2 (0.36)
SCHEMBL16624163 0.83 SMN1; SMN2 (0.42)
SCHEMBL16624909 0.80 TRPV1 (0.57) TRPV1
SCHEMBL16624923 0.68 ALOX15 (0.44) TRPV1CYP1A2
SCHEMBL19071750 0.68 TRPV1 (0.48) TRPV1
SCHEMBL16624921 0.67 ALOX15 (0.49) TRPV1TDP1CYP3A4
SCHEMBL19071599 0.67 FNTA (0.43) TRPV1CYP3A4CYP1A2
SCHEMBL16624907 0.66 ALOX15 (0.45) TRPV1CYP3A4CYP2D6CYP1A2
SCHEMBL19070980 0.66 TRPV1 (0.50) TRPV1
Hydrochloric Acid SCHEMBL21523071 0.65 TRPV1 (0.61) TRPV1

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-9730875-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2017-08-15 US disclosed
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA 2016-05-26 US disclosed
US-9284261-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2016-03-15 US disclosed
US-20150099810-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 (2 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-20150099810-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 TRPV1 5/4885TDP1 4021/4885CYP3A4 814/4885
US-20160143829-A1 PHOTOLABILE PRO-FRAGRANCES TRPA1, PSAP, CRY1 TRPV1 5/4885TDP1 4021/4885CYP3A4 814/4885

“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.