SCHEMBL862162

SCHEMBL862162

CCOC(=O)c1cc(C)cc(CO)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
S1PR2 O95136 1/20 0.45
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40

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
SCHEMBL862340 0.86 CYP1A2 (0.66) CYP1A2S1PR2KDM4EPOLBCA12
SCHEMBL862383 0.85 CYP1A2 (0.49) CYP1A2S1PR2KDM4EPOLBCA12
SCHEMBL14653301 0.85 ATM (0.42) CYP1A2S1PR2KDM4EALDH1A1MAPT
SCHEMBL31751791 0.84 CYP1A2 (0.47) CYP1A2S1PR2KDM4EPOLBCA12
SCHEMBL20524386 0.84 ALDH1A1 (0.48) CYP1A2KDM4EPOLBCA12CA1
SCHEMBL3020821 0.84 CYP1A2 (0.47) CYP1A2KDM4EPOLBCA12CA1
SCHEMBL18137413 0.84 CYP1A2 (0.47) CYP1A2S1PR2KDM4EPOLBCA12
SCHEMBL3008182 0.84 ALDH1A1 (0.50) CYP1A2KDM4EPOLBCA12CA1
SCHEMBL22335927 0.83 CYP1A2 (0.44) CYP1A2S1PR2KDM4EPOLBALDH1A1
SCHEMBL7467057 0.83 HPGD (0.47) CYP1A2KDM4EPOLBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 CYP1A2 4875/4885S1PR2 1309/4885KDM4E 3409/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 CYP1A2 4875/4885S1PR2 1309/4885KDM4E 3409/4885

“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.