SCHEMBL13096342

SCHEMBL13096342

CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2cc(Br)c3c4c(cc(Br)c(c24)C1=O)C(=O)N(CC(CCCCCCCC)CCCCCCCCCC)C3=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.36
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SHMT2 P34897 1/20 0.31
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
FAAH O00519 1/20 0.30
PTGER4 P35408 1/20 0.30
CES1 P23141 2/20 0.30
LMNA P02545 1/20 0.30
CDC25A P30304 1/20 0.30
SIRT2 Q8IXJ6 3/20 0.30

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
SCHEMBL31040895 1.00 CYP1B1 (0.36) CYP1B1PKMHTTSMN1; SMN2HSD17B10
SCHEMBL31040922 1.00 CYP1B1 (0.36) CYP1B1PKMHTTSMN1; SMN2HSD17B10
SCHEMBL15715894 1.00 CYP1B1 (0.36) CYP1B1PKMHTTSMN1; SMN2HSD17B10
SCHEMBL30482050 0.96 CYP1B1 (0.39) CYP1B1PKMHTTSMN1; SMN2HSD17B10
SCHEMBL25221349 0.96 CYP1B1 (0.39) CYP1B1PKMHTTSMN1; SMN2HSD17B10
SCHEMBL19821717 0.90 ALDH1A1 (0.38) CYP1B1
SCHEMBL30481775 0.86 CYP1B1 (0.39) CYP1B1HTTSMN1; SMN2LMNA
SCHEMBL12217052 0.83 CYP1B1 (0.38) CYP1B1HTTSMN1; SMN2LMNA
SCHEMBL12499359 0.83 CYP1B1 (0.38) CYP1B1HTTSMN1; SMN2LMNA
SCHEMBL17146895 0.82 CYP1B1 (0.37) CYP1B1PKMHTTSMN1; SMN2HSD17B10

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
WO-2023106405-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE 国立大学法人大阪大学 2023-06-15 WO disclosed
US-9711728-B1 Fused thiophene-based conjugated polymers and their use in optoelectronic devices NORTHWESTERN UNIVERSITY (US) 2017-07-18 US disclosed
US-9178160-B1 Fused thiophene-based conjugated polymers and their use in optoelectronic devices NORTHWESTERN UNIVERSITY (US) 2015-11-03 US disclosed
US-8927971-B2 Semiconducting compounds and devices incorporating same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2015-01-06 US disclosed
US-20100252112-A1 Semiconducting Compounds and Devices Incorporating Same POLYERA CORPORATION 2010-10-07 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-20100252112-A1 Semiconducting Compounds and Devices Incorporating Same HTT, SUV39H1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1B1 2007/4885PKM 2394/4885HTT 1/4885

“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.