SCHEMBL5572540

SCHEMBL5572540

c1ccc2cc3cc(-c4ccc(-c5ccc(-c6ccc7cc8ccccc8cc7c6)s5)s4)ccc3cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.44
HSD17B2 P37059 6/20 0.44
SNCA P37840 2/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
GSTP1 P09211 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5575449 1.00 HSD17B1 (0.44) HSD17B1HSD17B2SNCAESR1ESR2
SCHEMBL7591652 0.93 GSTP1 (0.48) HSD17B1HSD17B2SNCAESR1ESR2
SCHEMBL5148523 0.93 GSTP1 (0.48) HSD17B1HSD17B2SNCAESR1ESR2
SCHEMBL9976851 0.93 GSTP1 (0.48) HSD17B1HSD17B2SNCAESR1ESR2
SCHEMBL4404623 0.91 GSTP1 (0.50) HSD17B1HSD17B2SNCAESR1ESR2
SCHEMBL31388296 0.91 GSTP1 (0.50) HSD17B1HSD17B2SNCAESR1ESR2
SCHEMBL13196394 0.89 PGR (0.51) HSD17B1HSD17B2SNCAALDH1A1CYP3A4
SCHEMBL8780618 0.88 CYP1B1 (0.53) HSD17B1HSD17B2SNCAGSTP1ALDH1A1
SCHEMBL5574225 0.88 RPS6KB2 (0.45) ALDH1A1CASP1CASP7HSD17B10SMN1; SMN2
SCHEMBL25165524 0.86 APP (0.39) HSD17B1HSD17B2ESR1ESR2GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795443-B2 Compound and organic thin film transistor CANON KABUSHIKI KAISHA (JP) 2010-09-14 US disclosed
US-7795443-B2 Compound and organic thin film transistor CANON KABUSHIKI KAISHA (JP) 2010-09-14 US disclosed
US-7781550-B1 Charge transport compositions and their use in electronic devices E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 US disclosed
US-7781550-B1 Charge transport compositions and their use in electronic devices E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 US disclosed
WO-2009156623-A1 NOVEL MESOMORPHIC MACROMOLECULAR ORGANIC SEMICONDUCTOR MATERIALS COMMISSARIAT A L´ENERGIE ATOMIQUE (FR) 2009-12-30 WO disclosed
US-20080241594-A1 NOVEL COMPOUND AND ORGANIC THIN FILM TRANSISTOR CANON KABUSHIKI KAISHA (JP) 2008-10-02 US disclosed
US-20080241594-A1 NOVEL COMPOUND AND ORGANIC THIN FILM TRANSISTOR CANON KABUSHIKI KAISHA (JP) 2008-10-02 US disclosed
US-7276395-B2 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-02 US disclosed
US-7276395-B2 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-02 US disclosed
US-7276395-B2 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-02 US disclosed
EP-1654248-A1 ACENE-THIOPHENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2006-05-10 EP disclosed
US-20060033086-A1 Depositing a gate electrode material on the substrate;depositing a gate dielectric on the gate electrode material;depositing an organic semiconductor layer comprising acene-thiophene compounds, providing a source electrode and a drain electrode contiguous to the organic semiconductor layer GERLACH CHRISTOPHER P 2006-02-16 US disclosed
US-6998068-B2 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-02-14 US disclosed
WO-2005019198-A1 ACENE-THIOPHENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed
US-20050035333-A1 Acene-thiophene semiconductors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-17 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-20080241594-A1 NOVEL COMPOUND AND ORGANIC THIN FILM TRANSISTOR TMX1, TCOF1, TTI1 HSD17B1 700/4885HSD17B2 1234/4885SNCA 2597/4885

“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.