SCHEMBL1980574

SCHEMBL1980574

C=CC[n+]1ccccc1C=Cc1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4A O75164 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
APOBEC3A P31941 1/20 0.41
GFER P55789 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 2/20 0.37
CYP2A6 P11509 1/20 0.34
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
CHAT P28329 3/20 0.33
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL1907277 1.00 RAB9A (0.46) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL7764476 0.87 NPC1 (0.47) RAB9AKMT2ANPC1MEN1ALDH1A1
Bromide SCHEMBL16497619 0.84 KMT2A (0.45) RAB9AKMT2ANPC1MEN1ALDH1A1
Bromide SCHEMBL16497620 0.84 KMT2A (0.45) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL10843581 0.82 MEN1 (0.56) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL10843575 0.82 MEN1 (0.56) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL29620208 0.81 RAB9A (0.67) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL1898847 0.81 RAB9A (0.67) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL9588524 0.81 RAB9A (0.67) RAB9AKMT2ANPC1MEN1ALDH1A1
Bromide SCHEMBL8666504 0.80 MEN1 (0.69) RAB9AKMT2ANPC1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218647-A1 MEDICAL IMPLANT AGT SCIENCES LTD. (GB) 2011-09-08 US disclosed
US-20110152212-A1 Aqueous Formulations CROWTHER NICHOLAS JOHN 2011-06-23 US disclosed
EP-2124894-A2 AQUEOUS FORMULATIONS AGT Sciences Limited (GB) 2009-12-02 EP disclosed
US-20090110733-A1 DELIVERY MEANS AGT SCIENCES LIMITED (GB) 2009-04-30 US disclosed
EP-1558652-B1 DERIVATISED HYDROGELS AND THEIR USE AGT SCIENCES LTD (GB) 2009-02-11 EP disclosed
EP-2018191-A2 DELIVERY MEANS AGT Sciences Limited (GB) 2009-01-28 EP disclosed
US-20090022781-A1 DELIVERY MEANS AGT SCIENCES LIMITED (GB) 2009-01-22 US disclosed
EP-2004140-A1 DELIVERY MEANS AGT Sciences Limited (GB) 2008-12-24 EP disclosed
WO-2008102144-A2 AQUEOUS FORMULATIONS AGT SCIENCES LIMITED (GB) 2008-08-28 WO disclosed
US-20070276207-A1 Polymeric Materials Incorporating a Ph Indicator Dye EAGLAND DONALD 2007-11-29 US disclosed
WO-2007132244-A2 DELIVERY MEANS AGT SCIENCES LIMITED (GB) 2007-11-22 WO disclosed
WO-2007096606-A1 DELIVERY MEANS AGT SCIENCES LIMITED (GB) 2007-08-30 WO disclosed
EP-1700115-A1 POLYMERIC MATERIALS INCORPORATING A PH INDICATOR DYE AGT Sciences Limited (GB) 2006-09-13 EP disclosed
US-20060058459-A1 Derivatised hydrogels and their use UNIVERSITY OF BRADFORD 2006-03-16 US disclosed
EP-1558652-A1 DERIVATISED HYDROGELS AND THEIR USE UNIVERSITY OF BRADFORD (GB) 2005-08-03 EP disclosed
WO-2005052572-A1 POLYMERIC MATERIALS INCORPORATING A PH INDICATOR DYE AGT SCIENCES LIMITED (GB) 2005-06-09 WO disclosed
WO-2004041872-A1 DERIVATISED HYDROGELS AND THEIR USE UNIVERSITY OF BRADFORD (GB) 2004-05-21 WO disclosed
US-4272620-A Polyvinyl alcohol-styrylpyridinium photosensitive resins and method for manufacture thereof AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-06-09 US disclosed
US-4269941-A CONFINING THE ENZYME IN A MATRIX BY EXPOSING TO LIGHT AN AQUEOUS SOLUTION OF ENZYME AND PHOTOSENSITIVE CROSSLINKABLE RESIN COMPRISING A PARTIALLY SAPONIFIED POLYVINYL ACETATE POLYMER MODIFIED BY AN A-P-FORMYLSTYRYL/PYRIDINIUM COMPOUND AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-05-26 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 (3 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-20090022781-A1 DELIVERY MEANS P4HB, GLMN, CD68 RAB9A 3840/4885KMT2A 3492/4885NPC1 2834/4885
US-20090110733-A1 DELIVERY MEANS LARS1, HSP90AA1, VIP RAB9A 664/4885KMT2A 2912/4885NPC1 4267/4885
US-20110152212-A1 Aqueous Formulations H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, VCL RAB9A 1926/4885KMT2A 2530/4885NPC1 4069/4885

“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.