SCHEMBL10018142

SCHEMBL10018142

CCCCCCCCCCCCN1C(=O)C2=C(c3ccc(Br)s3)N(CCCCCCCCCCCC)C(=O)C2=C1c1ccc(Br)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
MGLL Q99685 3/20 0.41
FAAH O00519 1/20 0.41
CDC25A P30304 3/20 0.40
CES1 P23141 2/20 0.40
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
G6PD P11413 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 3/20 0.37

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
SCHEMBL1277180 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL17538603 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL1277321 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15979474 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL16875869 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL866004 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL865309 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL12725221 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL14815921 1.00 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL865053 0.99 MGLL (0.39) PTGS1PTGS2MGLLFAAHCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507336-B Fluorine-containing near infrared absorption conjugated polymer and preparation method thereof 常州大学 2023-08-22 CN claimed
CN-114507336-A Fluorine-containing near-infrared absorption conjugated polymer and preparation method thereof 常州大学 2022-05-17 CN claimed
CN-114507336-B Fluorine-containing near infrared absorption conjugated polymer and preparation method thereof 常州大学 2023-08-22 CN disclosed
CN-114507336-A Fluorine-containing near-infrared absorption conjugated polymer and preparation method thereof 常州大学 2022-05-17 CN disclosed
US-20160133858-A1 Semiconducting Compounds and Devices Incorporating Same UNITED STATES DEPARTMENT OF ENERGY 2016-05-12 US disclosed
US-9240556-B2 Semiconducting compounds and devices incorporating same NORTHWESTERN UNIVERSITY (US) 2016-01-19 US disclosed
US-9166167-B2 P-type materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-10-20 US disclosed
US-20140288313-A1 Semiconducting Compounds and Devices Incorporating Same UNITED STATES DEPARTMENT OF ENERGY 2014-09-25 US disclosed
US-8816334-B2 N-type materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-26 US disclosed
US-8816334-B2 N-type materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-26 US disclosed
US-8754188-B2 Semiconducting compounds and devices incorporating same NORTHWESTERN UNIVERSITY (US) 2014-06-17 US disclosed
US-20120298976-A1 N-Type Materials And Organic Electronic Devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-11-29 US disclosed
US-20120264906-A1 SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME UNITED STATES DEPARTMENT OF ENERGY 2012-10-18 US disclosed
WO-2012129511-A2 SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME NORTHWESTERN UNIVERSITY (US) 2012-09-27 WO disclosed
US-20120161117-A1 P-TYPE MATERIALS AND ORGANIC ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-06-28 US disclosed
WO-2011025455-A1 P-TYPE MATERIALS AND ORGANIC ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-03-03 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 (4 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-20120264906-A1 SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME TST, NECTIN4, ICMT PTGS1 2860/4885PTGS2 1968/4885MGLL 1129/4885
US-20160133858-A1 Semiconducting Compounds and Devices Incorporating Same TST, NECTIN4, ICMT PTGS1 2860/4885PTGS2 1968/4885MGLL 1129/4885
US-20120161117-A1 P-TYPE MATERIALS AND ORGANIC ELECTRONIC DEVICES POP1, CACNA1A, PNN PTGS1 1204/4885PTGS2 1776/4885MGLL 4645/4885
US-20120298976-A1 N-Type Materials And Organic Electronic Devices NANS, DPAGT1, PNN PTGS1 1246/4885PTGS2 1663/4885MGLL 4365/4885

“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.