SCHEMBL412380

SCHEMBL412380

O=C(O)CCCC#CC#CCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.77
PTPN7 P35236 5/20 0.77
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
RECQL P46063 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL6034526 1.00 HMGCR (0.77) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL11139452 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL410681 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL11577850 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL411385 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL8763744 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL416646 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL2553133 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL414271 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6
SCHEMBL11581528 0.98 HMGCR (0.80) HMGCRPTPN7MAPTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11504991-B2 Inkless printing on substrates and comestibles INTERCONTINENTAL GREAT BRANDS LLC (US) 2022-11-22 US disclosed
CN-114536885-A Packaging material containing indicator responsive to external stimulus 洲际大品牌有限责任公司 2022-05-27 CN disclosed
US-20200247167-A1 INKLESS PRINTING ON SUBSTRATES AND COMESTIBLES MONDELEZ UK R&D LIMITED (GB) 2020-08-06 US disclosed
US-20200232958-A1 PACKAGING MATERIAL COMPRISING INDICATOR RESPONDING TO AN EXTERNAL STIMULUS INTERCONTINENTAL GREAT BRANDS LLC 2020-07-23 US disclosed
EP-3669345-A1 INKLESS PRINTING ON SUBSTRATES AND COMESTIBLES Intercontinental Great Brands LLC (US) 2020-06-24 EP disclosed
EP-3669187-A2 INKLESS PRINTING ON SUBSTRATES AND COMESTIBLES Intercontinental Great Brands LLC (US) 2020-06-24 EP disclosed
CN-110945351-A Packaging material containing indicator responsive to external stimulus 洲际大品牌有限责任公司 2020-03-31 CN disclosed
CN-110914889-A Inkless printing on substrates and food 洲际大品牌有限责任公司 2020-03-24 CN disclosed
US-10246562-B2 Plastics colouration DATALASE LTD. (GB) 2019-04-02 US disclosed
WO-2019036342-A2 INKLESS PRINTING ON SUBSTRATES AND COMESTIBLES INTERCONTINENTAL GREAT BRANDS LLC (US) 2019-02-21 WO disclosed
US-7897320-B2 Thermoplastic material comprising polychromic substances THE PROCTER & GAMBLE COMPANY (US) 2011-03-01 US disclosed
US-20110017961-A1 Polychromic Substances and Their Use DATALASE LTD (GB) 2011-01-27 US disclosed
WO-2010112940-A1 LASER IMAGING DATALASE LTD. (GB) 2010-10-07 WO disclosed
EP-2235591-A2 POLYCHROMIC SUBSTANCES AND THEIR USE DataLase Ltd (GB) 2010-10-06 EP disclosed
US-20090191480-A1 THERMOPLASTIC MATERIAL COMPRISING POLYCHROMIC SUBSTANCES DATALASE LTD (GB) 2009-07-30 US disclosed
WO-2009093028-A2 POLYCHROMIC SUBSTANCES AND THEIR USE DATALASE LTD. (GB) 2009-07-30 WO disclosed
EP-2082890-A1 Thermoplastic material comprising polychromic substances The Procter and Gamble Company (US) 2009-07-29 EP disclosed
WO-2009081385-A2 THERMOPLASTIC MATERIAL COMPRISING POLYCHROMIC SUBSTANCES THE PROCTER & GAMBLE COMPANY (US) 2009-07-02 WO disclosed
US-7049152-B2 A bolaamphiphilic conjugated bisfunctional polydiacetylene, comprising a diacetylene unit at the center of a hydrophobic core, an anionic head group on one hydrophilic end and an oxy acid on the other hydrophilic end THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-05-23 US disclosed
US-20020137233-A1 A bolaamphiphilic conjugated bisfunctional polydiacetylene, comprising a diacetylene unit at the center of a hydrophobic core, an anionic head group on one hydrophilic end and an oxy acid on the other hydrophilic end U.S. DEPARTMENT OF ENERGY 2002-09-26 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 (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-20110017961-A1 Polychromic Substances and Their Use RXRG, RXRA, RXRB HMGCR 1900/4885PTPN7 1952/4885MAPT 4362/4885

“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.