SCHEMBL3877285

SCHEMBL3877285

CCCCC(CC)CNC(C)N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.59
ALDH1A1 P00352 4/20 0.59
TSHR P16473 4/20 0.59
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.39
OPRM1 P35372 2/20 0.38
CA2 P00918 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
USP2 O75604 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
BCL2L1 Q07817 3/20 0.36
BAK1 Q16611 3/20 0.36

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
SCHEMBL9759802 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRTDP1KDM4E
SCHEMBL3838045 0.83 TSHR (0.64) CYP3A4ALDH1A1TSHRTDP1KDM4E
SCHEMBL4162585 0.79 TSHR (0.59) CYP3A4ALDH1A1TSHRTDP1KDM4E
SCHEMBL172603 0.79 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRTDP1KDM4E
Ammonia Solution, Strong SCHEMBL197887 0.77 TSHR (0.61) CYP3A4ALDH1A1TSHRTDP1KDM4E
SCHEMBL13995819 0.76 TSHR (0.55) CYP3A4ALDH1A1TSHRTDP1KDM4E
SCHEMBL13995800 0.76 TSHR (0.55) CYP3A4ALDH1A1TSHRTDP1KDM4E
SCHEMBL15203130 0.76 TSHR (0.55) CYP3A4ALDH1A1TSHRTDP1KDM4E
SCHEMBL11346834 0.76 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRTDP1KDM4E
SCHEMBL16390075 0.75 TSHR (0.59) CYP3A4ALDH1A1TSHRTDP1KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115734999-A Engine oil lubricant composition with steel corrosion protection and preparation method thereof 埃克森美孚技术与工程公司 2023-03-03 CN claimed
CN-115734999-A Engine oil lubricant composition with steel corrosion protection and preparation method thereof 埃克森美孚技术与工程公司 2023-03-03 CN disclosed
EP-2092021-B1 PIGMENT DISPERSANTS SUN CHEMICAL CORP (US) 2014-05-21 EP disclosed
US-20120260825-A1 POLYMERIC DISPERSANTS SUN CHEMICAL CORPORATION 2012-10-18 US disclosed
EP-2092021-A2 PIGMENT DISPERSANTS Sun Chemical Corporation (US) 2009-08-26 EP disclosed
US-20090142526-A1 POLYMERIC DISPERSANTS SUN CHEMICAL CORP (US) 2009-06-04 US disclosed
EP-2019849-A2 POLYMERIC DISPERSANTS Sun Chemical Corporation (US) 2009-02-04 EP disclosed
US-7407544-B2 Polymeric dispersants based on addition of amines to dialkylsuccinyl succinate or its derivatives SUN CHEMICAL CORPORATION (US) 2008-08-05 US disclosed
WO-2008049004-A2 PIGMENT DISPERSANTS SUN CHEMICAL CORPORATION (US) 2008-04-24 WO disclosed
US-20080087193-A1 Pigment dispersants SUN CHEMICAL CORPORATION 2008-04-17 US disclosed
US-7045638-B2 Pigment dispersants based on diketopyrrolopyrrole compounds and pigment preparations CLARIANT GMBH (DE) 2006-05-16 US disclosed
US-6986811-B2 preparing pigment preparations and their use as colorants for pigmenting high molecular mass organic materials BASF AKTIENGESELLSCHAFT (DE) 2006-01-17 US disclosed
US-20040194665-A1 Perylene derivatives and their application as dispersants BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 US disclosed
US-20040177790-A1 Pigment dispersants based on diketopyrrolopyrrole compounds and pigment preparations CLARIANT GMBH 2004-09-16 US disclosed
US-20030162977-A1 Pigment dispersants based on diketopyrrolopyrrole compounds and pigment preparations CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2003-08-28 US disclosed
US-20030162976-A1 Pigment dispersants based on diketopyrrolopyrrole compounds and pigment preparations CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2003-08-28 US disclosed
US-6413309-B1 PERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDES OR MONOIMIDE MONO-ANHYDRIDES AS DISPERSANTS; IMPROVED COLORIZATION AND RHEOLO-GICAL PROPERTIES; UNIVERSAL APPLICABILITY; PLASTICS, RESINS, VARNISHES, PAINTS, ELECTROPHOTOGRAPHIC TONERS AND DEVELOPERS CLARIANT GMBH (DE) 2002-07-02 US disclosed
US-20010008912-A1 Pigment dispersants based on diketopyrrolopyrrole compounds and pigment preparations CLARIANT GMBH 2001-07-19 US disclosed
US-5958129-A SPECIFIC ORGANIC PIGMENTS AND A PIGMENT DISPERSING AGENT COMPRISING AN ANTHRA(2,1,9-DEF:6,5,10)DIISOQUINOLINE DERIVATIVE; IMPROVED RHEOLOGICAL AND COLORING PROPERTIES, FOR PIGMENTING HIGH MOLECULAR WEIGHT ORGANIC MATERIALS CLARIANT GMBH (DE) 1999-09-28 US disclosed
US-4310359-A Pigment compositions TOYO INK MANUFACTURING CO., LTD. (JP) 1982-01-12 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 (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-20030162977-A1 Pigment dispersants based on diketopyrrolopyrrole compounds and pigment preparations TYR, NDUFAF2, MT-ND2 CYP3A4 633/4885ALDH1A1 111/4885TSHR 4397/4885
US-20030162976-A1 Pigment dispersants based on diketopyrrolopyrrole compounds and pigment preparations TYR, NDUFAF2, MT-ND2 CYP3A4 633/4885ALDH1A1 111/4885TSHR 4397/4885
US-20040194665-A1 Perylene derivatives and their application as dispersants PDS5A, PDS5B, IPO5 CYP3A4 1211/4885ALDH1A1 492/4885TSHR 4712/4885
US-20120260825-A1 POLYMERIC DISPERSANTS ADH1A, DRD1, ADH5 CYP3A4 984/4885ALDH1A1 14/4885TSHR 4403/4885

“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.