SCHEMBL17036604

SCHEMBL17036604

CCOC(=O)C(C(=O)c1ccccc1)C(C)CC(=O)C1C(C)C=CCC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
TP53 P04637 1/20 0.32
MMP8 P22894 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL17036337 0.92 LMNA (0.36) ALDH1A1SMN1; SMN2PGRADRA2AADRA2B
SCHEMBL18815541 0.91 KMT2A (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL17027554 0.90 KMT2A (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL17027579 0.90 LMNA (0.34) ALDH1A1SMN1; SMN2NPC1TP53KDM4E
SCHEMBL19996620 0.86
SCHEMBL14227660 0.84 HSP90AA1 (0.34) ALDH1A1KMT2ASMN1; SMN2NPC1L3MBTL1
SCHEMBL18255354 0.83 PGR (0.33) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL18268178 0.82 KMT2A (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL18817800 0.81 KDM4E (0.32) KMT2AKDM4E
SCHEMBL14359958 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392579-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2019-08-27 US disclosed
US-9926258-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-03-27 US disclosed
US-9926258-B2 Photolabile pro-fragrances HENKEL AG & CO. KGAA (DE) 2018-03-27 US disclosed
WO-2017071871-A1 SYNTHESIS OF KETONE RELEASING PHOTO-CAGES HENKEL AG & CO. KGAA (DE) 2017-05-04 WO disclosed
WO-2017071872-A1 KETONE-RELEASING PHOTOCAGE HENKEL AG & CO. KGAA (DE) 2017-05-04 WO disclosed
WO-2017071873-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2017-05-04 WO disclosed
WO-2017071872-A1 KETONE-RELEASING PHOTOCAGE HENKEL AG & CO. KGAA (DE) 2017-05-04 WO disclosed
WO-2017071871-A1 SYNTHESIS OF KETONE RELEASING PHOTO-CAGES HENKEL AG & CO. KGAA (DE) 2017-05-04 WO disclosed
US-20160347704-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2016-12-01 US disclosed
US-20160347704-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2016-12-01 US disclosed
WO-2015124671-A1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2015-08-27 WO 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-20160347704-A1 PHOTOLABILE PRO-FRAGRANCES CUTA, FAAH, FAAH2 ALDH1A1 94/4885MEN1 543/4885KMT2A 977/4885
US-10392579-B2 Photolabile pro-fragrances CUTA, CRY1, LAGE3 ALDH1A1 270/4885MEN1 481/4885KMT2A 2087/4885

“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.