SCHEMBL7434805

SCHEMBL7434805

CCCCC(C)C[C](C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.41
ACE2 Q9BYF1 1/20 0.39
ALDH1A1 P00352 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.35
CA2 P00918 2/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL5683923 0.92 ACE2 (0.47) FDPSACE2OPRM1CA1SPHK1
SCHEMBL28277613 0.90 ACE2 (0.50) FDPSACE2OPRM1SPHK1
SCHEMBL28277594 0.90 ACE2 (0.50) FDPSACE2OPRM1SPHK1
SCHEMBL28154759 0.90 ACE2 (0.50) FDPSACE2OPRM1SPHK1
SCHEMBL6181574 0.90 ACE2 (0.50) FDPSACE2OPRM1SPHK1
SCHEMBL100661 0.83
SCHEMBL28944520 0.82 ACE2 (0.42) FDPSACE2ALDH1A1DNM1TSHR
SCHEMBL8368919 0.80 ACE2 (0.36) FDPSACE2ALDH1A1DNM1TSHR
SCHEMBL18514502 0.80 ACE2 (0.36) FDPSACE2ALDH1A1DNM1TSHR
SCHEMBL1369967 0.80 ALDH1A1 (0.46) FDPSACE2ALDH1A1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202322-B2 Resorcinol derivatives SUTTER BAY HOSPITALS (US) 2019-02-12 US claimed
US-20180170846-A1 RESORCINOL DERIVATIVES SUTTER WEST BAY HOSPITALS 2018-06-21 US claimed
US-20130209483-A1 CANNABIDINOID DERIVATIVES SUTTER WEST BAY HOSPITALS (US) 2013-08-15 US claimed
CN-106893581-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-11-05 CN disclosed
CN-106892915-B Organic compound, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-22 CN disclosed
US-10202322-B2 Resorcinol derivatives SUTTER BAY HOSPITALS (US) 2019-02-12 US disclosed
CN-106892914-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-01 CN disclosed
CN-106588946-B 10-hydroxycamptothecine derivative, synthetic method and its application 郑州大学 2019-01-22 CN disclosed
US-20180170846-A1 RESORCINOL DERIVATIVES SUTTER WEST BAY HOSPITALS 2018-06-21 US disclosed
CN-108101922-A Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2018-06-01 CN disclosed
US-9809521-B2 Cannabidinoid derivatives SUTTER WEST BAY HOSPITALS (US) 2017-11-07 US disclosed
US-20160376211-A1 CANNABIDINOID DERIVATIVES SUTTER WEST BAY HOSPITALS 2016-12-29 US disclosed
US-9254272-B2 Resorcinol derivatives SUTTER WEST BAY HOSPITALS (US) 2016-02-09 US disclosed
US-20130209483-A1 CANNABIDINOID DERIVATIVES SUTTER WEST BAY HOSPITALS (US) 2013-08-15 US disclosed
EP-1212306-A2 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-12 EP disclosed
WO-2001019797-A2 HYDROXYALKANOYL AMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-03-22 WO disclosed
US-4935426-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-19 US disclosed
EP-0044979-B1 DERIVATIVES OF 2-FLUORO-ALKANECARBOXYLIC ACIDS, THEIR PREPARATION, HERBICIDES COMPRISING THEM AND THEIR APPLICATION BASF Aktiengesellschaft (DE) 1983-11-02 EP disclosed
EP-0044979-A1 Derivatives of 2-fluoro-alkanecarboxylic acids, their preparation, herbicides comprising them and their application BASF Aktiengesellschaft (DE) 1982-02-03 EP disclosed
EP-0010298-A1 1,2,4-Triazol-1-yl compounds, their preparation, fungicides, method for their preparation and method for combating fungi BASF Aktiengesellschaft (DE) 1980-04-30 EP 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-10202322-B2 Resorcinol derivatives CNR1, CNR2, RCOR1 FDPS 574/4885ACE2 2331/4885ALDH1A1 1955/4885
US-20130209483-A1 CANNABIDINOID DERIVATIVES CNR2, CNR1, GPR18 FDPS 1343/4885ACE2 2975/4885ALDH1A1 3491/4885
US-20160376211-A1 CANNABIDINOID DERIVATIVES CNR2, CNR1, GPR18 FDPS 1343/4885ACE2 2975/4885ALDH1A1 3491/4885
US-20180170846-A1 RESORCINOL DERIVATIVES CNR1, CNR2, RCOR1 FDPS 574/4885ACE2 2331/4885ALDH1A1 1955/4885

“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.