SCHEMBL16616451

SCHEMBL16616451

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.68
PTPN1 P18031 2/20 0.64
L3MBTL1 Q9Y468 3/20 0.63
GABBR2 O75899 1/20 0.61
GABBR1 Q9UBS5 1/20 0.61
TSHR P16473 1/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL9066674 0.94 ATM (0.74) ATMPTPN1L3MBTL1GABBR2GABBR1
SCHEMBL8431654 0.90 L3MBTL1 (0.74) ATMPTPN1L3MBTL1TSHRMAPT
SCHEMBL657081 0.88 ATM (0.55) ATMPTPN1L3MBTL1GABBR2GABBR1
SCHEMBL659329 0.88 PDPK1 (0.61) ATMPTPN1L3MBTL1GABBR2GABBR1
SCHEMBL656354 0.88 PDPK1 (0.63) ATMPTPN1L3MBTL1GABBR2GABBR1
SCHEMBL10253431 0.88 ATM (0.59) ATMPTPN1L3MBTL1GABBR2GABBR1
SCHEMBL503819 0.88 GABBR2 (0.76) GABBR2GABBR1TSHRMAPTKDM4E
SCHEMBL6734410 0.86 GABBR2 (0.73) GABBR2GABBR1TSHRMAPTKDM4E
Hydrochloric Acid SCHEMBL7092228 0.86 GABBR2 (0.73) GABBR2GABBR1TSHRMAPTKDM4E
SCHEMBL658438 0.85 ATM (0.56) ATMPTPN1L3MBTL1GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864284-B1 PHOTOLABILE PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2017-07-05 EP disclosed
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-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
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 ATM 2943/4885PTPN1 3256/4885L3MBTL1 1799/4885

“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.