SCHEMBL5857797

SCHEMBL5857797

N#CCCCC1OCCO1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL12221369 0.93 MAPT (0.34) TSHRALDH1A1TDP1MAPT
SCHEMBL11639183 0.91 MAPT (0.33) TSHRALDH1A1MAPT
SCHEMBL1600712 0.85
SCHEMBL11019771 0.83 TSHR (0.30) TSHR
SCHEMBL335028 0.78
SCHEMBL15134445 0.76 POLB (0.33) ALDH1A1TDP1
SCHEMBL17931785 0.76 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL2462839 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11018931 0.76 PRKD3 (0.37)
SCHEMBL7025332 0.74

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
EP-0080530-B1 HYDRAULIC FLUIDS CONTAINING CYANO DERIVATIVES OF CYCLIC KETALS AND ACETALS THE DOW CHEMICAL COMPANY (US) 1985-08-28 EP claimed
EP-0080530-A1 Hydraulic fluids containing cyano derivatives of cyclic ketals and acetals THE DOW CHEMICAL COMPANY (US) 1983-06-08 EP claimed
US-4320024-A Hydraulic fluids containing cyano derivatives of cyclic ketals and acetals THE DOW CHEMICAL COMPANY (US) 1982-03-16 US claimed
US-8513162-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-20 US disclosed
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-20 US disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
WO-2000000490-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed
WO-2000000487-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed
US-5874427-A MIGRAINE ELI LILLY AND COMPANY (US) 1999-02-23 US disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
EP-0080530-B1 HYDRAULIC FLUIDS CONTAINING CYANO DERIVATIVES OF CYCLIC KETALS AND ACETALS THE DOW CHEMICAL COMPANY (US) 1985-08-28 EP disclosed
US-4501679-A WATER OR ACID SCAVENGERS THE DOW CHEMICAL COMPANY (US) 1985-02-26 US disclosed
EP-0080530-A1 Hydraulic fluids containing cyano derivatives of cyclic ketals and acetals THE DOW CHEMICAL COMPANY (US) 1983-06-08 EP disclosed
US-4320024-A Hydraulic fluids containing cyano derivatives of cyclic ketals and acetals THE DOW CHEMICAL COMPANY (US) 1982-03-16 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 (2 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-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 TSHR 4851/4885ALDH1A1 1604/4885TDP1 722/4885
US-20110257226-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C1S, C5, L3MBTL3 TSHR 70/4885ALDH1A1 1174/4885TDP1 3937/4885

“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.