SCHEMBL3319014

SCHEMBL3319014

Oc1c2cc3ccccc3cc2cc2cc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
TRPM4 Q8TD43 1/20 0.42
DNMT1 P26358 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MCL1 Q07820 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HSD17B10 Q99714 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP1B1 Q16678 1/20 0.42
NQO1 P15559 1/20 0.41
NQO2 P16083 1/20 0.41
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL31320889 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL31320819 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL31320884 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL28225839 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL31320923 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL31320910 0.97 CYP1A2 (0.44) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL11757019 0.93 PTPN22 (0.48) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL27737884 0.91 CYP1A2 (0.52) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL31320895 0.91 PTPN22 (0.46) CYP1A2ALDH1A1KDM4EGAAMEN1
SCHEMBL28872648 0.86 ALDH1A1 (0.50) CYP1A2ALDH1A1KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101412651-A Pentacenes and derivatives thereof, as well as thereof UNIV BEIJING CHEMICAL (CN) 2009-04-22 CN claimed
EP-3027555-B1 METHOD FOR EXFOLIATING GRAPHITE ASSISTED BY A DIELS-ALDER REACTION UNIV BORDEAUX (FR) 2023-05-24 EP disclosed
CN-108129249-A The synthetic method of pentacene and its derivative 武汉理工大学 2018-06-08 CN disclosed
US-9718692-B2 Method for exfoliating carbonaceous materials containing graphite, assisted by a Diels-Alder reaction UNIVERSITÉ DE BORDEAUX (FR) 2017-08-01 US disclosed
US-20160194207-A1 METHOD FOR EXFOLIATING CARBONACEAOUS MATERIALS CONTAINING GRAPHITE, ASSISTED BY A DIELS-ALDER REACTION INSTITUT POLYTECHNIQUE DE BORDEAUX (FR) 2016-07-07 US disclosed
EP-3027555-A2 METHOD FOR EXFOLIATING CARBONACEOUS MATERIALS CONTAINING GRAPHITE, ASSISTED BY A DIELS-ALDER REACTION Université de Bordeaux (FR) 2016-06-08 EP disclosed
US-7863488-B2 Reducing an acenequinone to an acenepolyhydrodiol by exposing to an alkoxyaluminate; 6,13-pentacenequinone reduced to 6,13-dihydropentacenediol using lithium tert-butoxyaluminumhydride; matrices for electronic devices; replaces silicon; transistors; computers; integrated circuits; solven- soluble ALCATEL-LUCENT USA INC. (US) 2011-01-04 US disclosed
US-7863488-B2 Reducing an acenequinone to an acenepolyhydrodiol by exposing to an alkoxyaluminate; 6,13-pentacenequinone reduced to 6,13-dihydropentacenediol using lithium tert-butoxyaluminumhydride; matrices for electronic devices; replaces silicon; transistors; computers; integrated circuits; solven- soluble ALCATEL-LUCENT USA INC. (US) 2011-01-04 US disclosed
US-7863488-B2 Reducing an acenequinone to an acenepolyhydrodiol by exposing to an alkoxyaluminate; 6,13-pentacenequinone reduced to 6,13-dihydropentacenediol using lithium tert-butoxyaluminumhydride; matrices for electronic devices; replaces silicon; transistors; computers; integrated circuits; solven- soluble ALCATEL-LUCENT USA INC. (US) 2011-01-04 US disclosed
US-20100144086-A1 Reducing an acenequinone to an acenepolyhydrodiol by exposing to an alkoxyaluminate; 6,13-pentacenequinone reduced to 6,13-dihydropentacenediol using lithium tert-butoxyaluminumhydride; matrices for electronic devices; replaces silicon; transistors; computers; integrated circuits; solven- soluble LUCENT TECHNOLOGIES INC. (US) 2010-06-10 US disclosed
US-20100144086-A1 Reducing an acenequinone to an acenepolyhydrodiol by exposing to an alkoxyaluminate; 6,13-pentacenequinone reduced to 6,13-dihydropentacenediol using lithium tert-butoxyaluminumhydride; matrices for electronic devices; replaces silicon; transistors; computers; integrated circuits; solven- soluble LUCENT TECHNOLOGIES INC. (US) 2010-06-10 US disclosed
US-20100144086-A1 Reducing an acenequinone to an acenepolyhydrodiol by exposing to an alkoxyaluminate; 6,13-pentacenequinone reduced to 6,13-dihydropentacenediol using lithium tert-butoxyaluminumhydride; matrices for electronic devices; replaces silicon; transistors; computers; integrated circuits; solven- soluble LUCENT TECHNOLOGIES INC. (US) 2010-06-10 US disclosed
CN-101412651-A Pentacenes and derivatives thereof, as well as thereof UNIV BEIJING CHEMICAL (CN) 2009-04-22 CN disclosed
CN-101412651-A Pentacenes and derivatives thereof, as well as thereof UNIV BEIJING CHEMICAL (CN) 2009-04-22 CN disclosed
US-20070154624-A1 Synthesis of acenes and hydroxy-acenes LUCENT TECHNOLOGIES INC. (US) 2007-07-05 US disclosed
US-20070154624-A1 Synthesis of acenes and hydroxy-acenes LUCENT TECHNOLOGIES INC. (US) 2007-07-05 US disclosed
US-20070154624-A1 Synthesis of acenes and hydroxy-acenes LUCENT TECHNOLOGIES INC. (US) 2007-07-05 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-20100144086-A1 Reducing an acenequinone to an acenepolyhydrodiol by exposing to an alkoxyaluminate; 6,13-pentacenequinone reduced to 6,13-dihydropentacenediol using lithium tert-butoxyaluminumhydride; matrices for electronic devices; replaces silicon; transistors; computers; integrated circuits; solven- soluble ACE, TTN, ACE2 CYP1A2 1460/4885ALDH1A1 1542/4885KDM4E 677/4885

“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.