SCHEMBL645781

SCHEMBL645781

O=C(CCC(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
MAPT P10636 1/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NLRP1 Q9C000 1/20 0.50
PPARA Q07869 1/20 0.49
FFAR1 O14842 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL2708161 0.90 CYP1A2 (0.56) TDP1MAPTKMT2AMEN1CYP1A2
SCHEMBL9595497 0.89 TDP1 (0.56) TDP1MAPTKMT2AMEN1CYP1A2
SCHEMBL28921963 0.88 CYP1A2 (0.54) TDP1MAPTKMT2AMEN1CYP1A2
SCHEMBL6409790 0.87 TDP1 (0.54) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8743473 0.87 TDP1 (0.54) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL20425405 0.87 MAPT (0.51) TDP1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL9446561 0.85 MAPT (0.74) TDP1MAPTKMT2AMEN1CYP1A2
SCHEMBL27765388 0.85 MAPT (0.57) TDP1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL5841958 0.85 TDP1 (0.53) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL1678635 0.85 L3MBTL1 (0.55) TDP1MAPTKMT2AMEN1CYP1A2

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-8318052-B2 Diketopyrrolopyrrole cocrystals with high transparency CLARIANT FINANCE (BVI) LIMITED (VG) 2012-11-27 US disclosed
US-8119042-B2 Diketopyrrolopyrrole cocrystals CLARIANT FINANCE (BVI) LIMITED (VG) 2012-02-21 US disclosed
US-20100213421-A1 Diketopyrrolopyrrole Cocrystals CLARIANT FINANCE (BVI) LIMITED (VG) 2010-08-26 US disclosed
US-20100119966-A1 Diketopyrrolopyrrole Cocrystals With High Transparency CLARIANT FINANCE (BVI) LIMITED (VG) 2010-05-13 US disclosed
US-5492564-A HIGH OPACITY, COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1996-02-20 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-20100119966-A1 Diketopyrrolopyrrole Cocrystals With High Transparency TYR, DYRK1A, TP53RK TDP1 1019/4885MAPT 678/4885KMT2A 843/4885

“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.