SCHEMBL3318244

SCHEMBL3318244

O=COC1(C(=O)c2ccccc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HPGD P15428 1/20 0.37
HDAC4 P56524 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ADRB2 P07550 1/20 0.35
F2 P00734 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL3315382 0.82 CES2 (0.46) KMT2AALDH1A1HPGDMEN1KDM4E
SCHEMBL10384827 0.81 ALDH1A1 (0.43) LMNAKMT2AALDH1A1MAPK1AKR1C1
SCHEMBL16668009 0.81 LMNA (0.41) LMNAKMT2AALDH1A1AKR1C1HPGD
SCHEMBL16576959 0.78 LMNA (0.39) LMNAALDH1A1MAPK1AKR1C1HPGD
SCHEMBL26110622 0.78 ALDH1A1 (0.41) LMNAKMT2AALDH1A1TDP1AKR1C1
SCHEMBL8383354 0.78 AKT1 (0.41) LMNAKMT2AALDH1A1AKR1C1HPGD
SCHEMBL10385929 0.77 LMNA (0.38) LMNAKMT2AALDH1A1AKR1C1HPGD
SCHEMBL2960390 0.76 LMNA (0.37) LMNAALDH1A1AKR1C1HPGDHDAC4
SCHEMBL6549880 0.75 AKT1 (0.35) LMNAKMT2AALDH1A1AKR1C1HPGD
SCHEMBL383939 0.75 CYP2C19 (0.35) AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044545-A1 PHOTOCURABLE INKS FOR INDIRECT PRINTING METHOD XEROX CORPORATION 2018-02-15 US disclosed
US-20160333204-A1 PHOTOCURABLE INKS FOR INDIRECT PRINTING XEROX CORPORATION 2016-11-17 US disclosed
US-9199934-B2 Alpha-hydroxyketones BASF SE (DE) 2015-12-01 US disclosed
US-9074105-B2 Emulsified UV curable inks for indirect printing XEROX CORPORATION (US) 2015-07-07 US disclosed
US-20150119487-A1 EMULSIFIED UV CURABLE INKS FOR INDIRECT PRINTING XEROX CORPORATION (US) 2015-04-30 US disclosed
US-20150116415-A1 PHOTOCURABLE INKS FOR INDIRECT PRINTING XEROX CORPORATION (US) 2015-04-30 US disclosed
EP-2129659-B1 ALPHA-HYDROXYKETONES BASF SE (DE) 2013-05-29 EP disclosed
US-20100104979-A1 ALPHA-HYDROXYKETONES IGM GROUP B.V. (NL) 2010-04-29 US disclosed
EP-2129659-A1 ALPHA-HYDROXYKETONES BASF SE (DE) 2009-12-09 EP disclosed
WO-2008122504-A1 ALPHA-HYDROXYKETONES BASF SE (CH) 2008-10-16 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 (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-20100104979-A1 ALPHA-HYDROXYKETONES C9, C1R, CBR3 LMNA 951/4885KMT2A 2928/4885ALDH1A1 734/4885

“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.