SCHEMBL10028155

SCHEMBL10028155

c1ccc(-c2c3ccccc3c3ccc4oc5c(-c6ccccc6)c6ccccc6c6ccc7oc2c3c4-c7c56)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CYP1A1 P04798 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP1B1 Q16678 3/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 1/20 0.35
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL10028156 0.87 PLA2G2A (0.40) CYP1A1CYP1A2CYP1B1KDM4EGAA
SCHEMBL10028139 0.86 CA1 (0.37) CA1CA2CYP1A1CYP1A2CYP1B1
SCHEMBL17304538 0.84 CA1 (0.36) CA1CA2CYP1A1CYP1A2CYP1B1
SCHEMBL10028157 0.81 MCL1 (0.39) CA1CA2CYP1A1CYP1A2CYP1B1
SCHEMBL10028153 0.77 ALDH1A1 (0.38) CYP1A2KDM4EALDH1A1GAATSHR
SCHEMBL10028236 0.76 MAOA (0.38) CYP1A2ALDH1A1HSD17B10AHRCDC14B
SCHEMBL23502105 0.76 PLA2G2A (0.39) CA1CA2CYP1A1CYP1A2CYP1B1
SCHEMBL10028162 0.76 CYP1A2 (0.39) CYP1A2KDM4EALDH1A1GAALMNA
SCHEMBL10028124 0.75 CYP1A2 (0.43) CYP1A1CYP1A2CYP1B1KDM4EALDH1A1
SCHEMBL24004243 0.75 CA1 (0.41) CA1CA2CYP1B1KDM4EALDH1A1

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
EP-2046915-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-02 EP disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 CA1 2265/4885CA2 2981/4885CYP1A1 751/4885

“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.