SCHEMBL16809181

SCHEMBL16809181

Cc1cccc(-c2c(F)cccc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.51
MAPK14 Q16539 3/20 0.51
CSNK1D P48730 2/20 0.51
ACHE P22303 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
PBRM1 Q86U86 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
RAB9A P51151 3/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
RPS6KA3 P51812 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL8229528 0.86 CSNK1E (0.43) CSNK1EMAPK14CSNK1DACHEL3MBTL1
SCHEMBL1865690 0.86 CSNK1E (0.43) CSNK1EMAPK14CSNK1DACHEL3MBTL1
SCHEMBL29000156 0.84 ACHE (0.43) CSNK1EMAPK14CSNK1DACHEPBRM1
SCHEMBL20022144 0.84 ACHE (0.48) CSNK1EMAPK14CSNK1DACHEL3MBTL1
SCHEMBL20022105 0.84 ACHE (0.48) CSNK1EMAPK14CSNK1DACHEL3MBTL1
SCHEMBL17563217 0.84 RPS6KA3 (0.48) CSNK1EMAPK14CSNK1DACHEL3MBTL1
SCHEMBL26355860 0.83 AKR1C3 (0.44) CSNK1EMAPK14CSNK1DACHEL3MBTL1
SCHEMBL15906188 0.83 CTSA (0.46) CSNK1EMAPK14CSNK1DACHERAB9A
SCHEMBL9565253 0.83 TTR (0.46) CSNK1EMAPK14CSNK1DL3MBTL1RAB9A
SCHEMBL5544981 0.82 ACHE (0.50) ACHEL3MBTL1AKR1C3AKR1C2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318961-A1 COMPLEXES AND CATALYTIC PROCESSES THE UNIVERSITY OF SUSSEX (GB) 2016-11-03 US disclosed
US-20160318961-A1 COMPLEXES AND CATALYTIC PROCESSES THE UNIVERSITY OF SUSSEX (GB) 2016-11-03 US disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
WO-2015087062-A1 COMPLEXES AND CATALYTIC PROCESSES THE UNIVERSITY OF SUSSEX (GB) 2015-06-18 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 CSNK1E 2804/4885MAPK14 1254/4885CSNK1D 2659/4885
US-20160318961-A1 COMPLEXES AND CATALYTIC PROCESSES SOD1, PDCD1, PDCD1LG2 CSNK1E 1688/4885MAPK14 4047/4885CSNK1D 2080/4885

“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.