SCHEMBL865053

SCHEMBL865053

CCCCCN1C(=O)C2=C(c3ccc(Br)s3)N(CCCCC)C(=O)C2=C1c1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
FAAH O00519 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
CES1 P23141 2/20 0.38
CDC25A P30304 1/20 0.38
CNR1 P21554 2/20 0.36
TNFRSF1A P19438 1/20 0.36
PDE5A O76074 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
G6PD P11413 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 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
SCHEMBL866004 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL1277321 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL14815921 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL15979474 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL12725221 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL17538603 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL16875869 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL865309 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL1277180 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1
SCHEMBL10018142 0.99 PTGS1 (0.41) MGLLPTGS1PTGS2FAAHALDH1A1

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-2621927-B1 SEMICONDUCTORS BASED ON DIKETOPYRROLOPYRROLES BASF SE (DE) 2020-02-12 EP disclosed
US-9206180-B2 Superstructures of diketopyrrolopyrrole donors and perylenediimide acceptors formed by hydrogen-bonding and π•••π stacking NEW YORK UNIVERSITY (US) 2015-12-08 US disclosed
US-8946376-B2 Semiconductors based on diketopyrrolopyrroles BASF SE (DE) 2015-02-03 US disclosed
US-20140243531-A1 SUPERSTRUCTURES OF DIKETOPYRROLOPYRROLE DONORS AND PERYLENEDIIMIDE ACCEPTORS FORMED BY HYDROGEN-BONDING AND PI...PI STACKING NEW YORK UNIVERSITY (US) 2014-08-28 US disclosed
US-20120074393-A1 SEMICONDUCTORS BASED ON DIKETOPYRROLOPYRROLES BASF SE (DE) 2012-03-29 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-20120074393-A1 SEMICONDUCTORS BASED ON DIKETOPYRROLOPYRROLES PDK1, CD2, DDT MGLL 3536/4885PTGS1 3397/4885PTGS2 2989/4885

“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.