SCHEMBL3025889

SCHEMBL3025889

[NH]C1CCCCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.30
HIF1A Q16665 1/20 0.30
NOS2 P35228 1/20 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
SCHEMBL50157 1.00
SCHEMBL3027158 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL1442122 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL5162851 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL3028721 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL25819 1.00
SCHEMBL130984 1.00
SCHEMBL5162640 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL3030542 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL3029726 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001092420-A2 PERYLENE DYES WITH PERSISTENT FLUORESCENCE CAUSED BY STERIC INHIBITION OF AGGREGATION RADIANT COLOR N.V. (BE) 2001-12-06 WO claimed
EP-0446748-A2 Use of perylenedyes for the preparation of write, print or copying materials RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-09-18 EP claimed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-0896964-A2 Perylenehydrazideimides as carbonyl derivatizing agents Ciba SC Holding AG (CH) 1999-02-17 EP disclosed
WO-1998039333-A1 CROWN ETHER-DERIVATISED PERYLENES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-09-11 WO disclosed
WO-1998032799-A1 BIFLUOROPHORIC PERYLENE COLOURANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-07-30 WO disclosed
WO-1998031678-A1 PREPARATION OF PERYLENE-3,4-DICARBOXYLIC ANHYDRIDES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-07-23 WO disclosed
WO-1997041176-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-06 WO disclosed
US-5354869-A Fluorescent dyes RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
US-5266700-A Bipyridyls and their use as inks RIEDEL-DE-HAEN (DE) 1993-11-30 US disclosed
EP-0446748-A2 Use of perylenedyes for the preparation of write, print or copying materials RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-09-18 EP disclosed
WO-1991000276-A1 BIPYRIDYLES, PROCESS FOR MAKING THEM AND THEIR USE RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-01-10 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885HSD17B10 1452/4885CES2 1392/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ALDH1A1 2295/4885HSD17B10 2339/4885CES2 3184/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ALDH1A1 1814/4885HSD17B10 1922/4885CES2 3247/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885HSD17B10 1295/4885CES2 2426/4885

“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.