SCHEMBL303754

SCHEMBL303754

CCCCC[CH]c1cccc2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 2/20 0.38
MITF O75030 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 2/20 0.38
CHAT P28329 1/20 0.38
NPC1 O15118 2/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL304680 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL304173 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL302974 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL302417 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL305107 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL304211 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL305094 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL304199 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL303880 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL303025 0.98 CHAT (0.40) MAPTMEN1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551696-A Composition for transfecting nucleic acid molecules into cells comprising triazole compounds grafted onto cationic polymers and uses thereof 宝利普拉斯生物转染公司 2024-02-13 CN disclosed
CN-114901316-A Composition for transfecting nucleic acid molecules into cells comprising triazole compound grafted to cationic polymer and use thereof 宝利普拉斯生物转染公司 2022-08-12 CN disclosed
CN-114514039-A Composition for transfecting a nucleic acid molecule into a cell comprising a heterocyclic compound grafted to a cationic polymer and uses thereof 宝利普拉斯生物转染公司 2022-05-17 CN disclosed
US-9255070-B2 Method of deuteration using mixed catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-8093422-B2 Method for deuteration of an aromatic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7517990-B2 Method for deuteration of a heterocyclic ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-14 US disclosed
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20080153019-A1 ARYLAMINE COMPOUND AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM FINECHEMICALS CO., LTD. (JP) 2008-06-26 US disclosed
US-20070255076-A1 Method for Deuteration of an Aromatic Ring WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2007-11-01 US disclosed
EP-1707548-A1 METHOD OF DEUTERATION USING MIXED CATALYST Wako Pure Chemical Industries, Ltd. (JP) 2006-10-04 EP disclosed
US-20060116535-A1 Method of deuteration WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-01 US disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1577280-A1 METHOD OF DEUTERIZATION Wako Pure Chemical Industries, Ltd. (JP) 2005-09-21 EP disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 EP disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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 (6 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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 MAPT 3971/4885MEN1 2335/4885KMT2A 2782/4885
US-20080234488-A1 Method of Deuteration Using Mixed Catalyst HDHD5, DHX35, HRH3 MAPT 4578/4885MEN1 565/4885KMT2A 1237/4885
US-20070255076-A1 Method for Deuteration of an Aromatic Ring HRH3, HRH4, AHR MAPT 3855/4885MEN1 1827/4885KMT2A 833/4885
US-20080153019-A1 ARYLAMINE COMPOUND AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR NR2E3, ARRB1, ALDH1A2 MAPT 3992/4885MEN1 3867/4885KMT2A 599/4885
US-20060116535-A1 Method of deuteration ARL1, IDH2, IDH3A MAPT 4851/4885MEN1 2083/4885KMT2A 2538/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 MAPT 3838/4885MEN1 2360/4885KMT2A 557/4885

“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.