Sugi Predict

Sugi Predict / Compounds / SCHEMBL940458

SCHEMBL940458

SCHEMBL940458

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.66
▸ PTPN7 P35236 4/20 0.61
▸ SELP P16109 1/20 0.58
▸ POLB P06746 1/20 0.49
▸ POLA1 P09884 1/20 0.49
▸ DGKA P23743 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46

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
SCHEMBL21544536 1.00 HMGCR (0.66) HMGCRPTPN7SELPPOLBPOLA1
SCHEMBL940491 1.00 HMGCR (0.66) HMGCRPTPN7SELPPOLBPOLA1
SCHEMBL18263707 0.95 PTPN7 (0.64) HMGCRPTPN7SELPPOLBTSHR
Ether SCHEMBL5476521 0.94 HMGCR (0.58) HMGCRPTPN7SELPPOLBPOLA1
SCHEMBL31509378 0.93 PTPN7 (0.63) HMGCRPTPN7SELPPOLBPOLA1
SCHEMBL8411340 0.93 PTPN7 (0.63) HMGCRPTPN7SELPPOLBPOLA1
SCHEMBL3966280 0.93 PTPN7 (0.63) HMGCRPTPN7SELPPOLBPOLA1
SCHEMBL3129143 0.93 PTPN7 (0.63) HMGCRPTPN7SELPPOLBPOLA1
SCHEMBL10403786 0.93 PTPN7 (0.63) HMGCRPTPN7SELPPOLBPOLA1
SCHEMBL29357767 0.89 PTPN7 (0.58) HMGCRPTPN7POLBPOLA1DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9581504-B2 Freeze, thaw and refreeze indicators based on rapid reactions in the solid state J P Laboratories (US) 2017-02-28 — — US claimed
US-9163307-B2 Three-dimensional photoresists via functionalization of polymer thin films fabricated by iCVD MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-10-20 — — US claimed
US-20210072213-A1 POLY(DIACETYLENE) SENSOR ARRAYS FOR CHARACTERIZING AQUEOUS SOLUTIONS AARHUS UNIVERSITET (DK) 2021-03-11 — — US disclosed
US-9581504-B2 Freeze, thaw and refreeze indicators based on rapid reactions in the solid state J P Laboratories (US) 2017-02-28 — — US disclosed
US-20130040020-A1 Methods and Compositions for Preparing Consumables with Optical Shifting Properties SEGAN INDUSTRIES, INC. 2013-02-14 — — US disclosed
US-20110008498-A1 Methods and Compositions for Preparing Consumables with Optical Shifting Properties SEGAN INDUSTRIES, INC. 2011-01-13 — — US disclosed
US-7776371-B2 Methods and compositions for preparing consumables with optical shifting properties SEGAN INDUSTRIES INC. (US) 2010-08-17 — — US disclosed
EP-2128610-A2 Ingestibles possessing intrinsic color change Segan Industries, Inc. (US) 2009-12-02 — — EP disclosed
EP-1297333-B1 INGESTIBLES POSSESSING INTRINSIC COLOR CHANGE SEGAN IND INC (US) 2009-09-30 — — EP disclosed
US-20070071680-A1 Methods and compositions for preparing consumables with optical shifting properties SEGAN INDUSTRIES, INC. 2007-03-29 — — US disclosed
US-20070014731-A1 Contrast agents GE HEALTHCARE 2007-01-18 — — US disclosed
US-20020172643-A1 Contrast agents NYCOMED IMAGING AS 2002-11-21 — — US disclosed
US-20020034475-A1 Ingestibles possessing intrinsic color change SEGAN INDUSTRIES 2002-03-21 — — US disclosed
WO-2002000920-A2 INGESTIBLES POSSESSING INTRINSIC COLOR CHANGE SEGAN INDUSTRIES, INC. (US) 2002-01-03 — — WO disclosed
EP-0576519-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 2001-04-18 — — EP disclosed
US-6106806-A DIAGNOTIC ULTRASOUND; BIODEGRADABLE NYCOMED IMAGING AS (NO) 2000-08-22 — — US disclosed
US-5567413-A CONTRAST AGENT COMPRISING VESICLES OG PHOSPHOLIPID MATERIAL NYCOMED IMAGING AS (NO) 1996-10-22 — — US disclosed
US-5536490-A ULTRASOUND OF VASCULAR SYSTEMS NYCOMED IMAGING AS (NO) 1996-07-16 — — US disclosed
EP-0576519-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1994-01-05 — — EP disclosed
WO-1992017212-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS HOLMES, MICHAEL, JOHN (GB) 1992-10-15 — — 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-20070014731-A1 Contrast agents FABP3, ANXA4, ANXA5 HMGCR 3454/4885PTPN7 3368/4885SELP 1750/4885
US-20020034475-A1 Ingestibles possessing intrinsic color change TAS2R46, THEM6, TAS2R16 HMGCR 4428/4885PTPN7 3807/4885SELP 1468/4885
US-20020172643-A1 Contrast agents FABP3, ANXA4, ANXA5 HMGCR 3454/4885PTPN7 3368/4885SELP 1750/4885
US-20070071680-A1 Methods and compositions for preparing consumables with optical shifting properties TAS2R46, THEM6, TAS2R41 HMGCR 4673/4885PTPN7 3762/4885SELP 1119/4885

“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.