SCHEMBL7528534

SCHEMBL7528534

CC(C)C(c1ccccc1)C(C)S

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
AOC3 Q16853 2/20 0.43
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC22A2 O15244 1/20 0.37
DPP4 P27487 2/20 0.36

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
SCHEMBL825973 0.84 AOC3 (0.50) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL3886956 0.77 AOC3 (0.45) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL17084095 0.75 ADRA2C (0.48) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL21789841 0.75 ADRA2C (0.48) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL8089536 0.75 TSHR (0.48) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL17084114 0.75 ADRA2C (0.48) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL9239618 0.75 TSHR (0.48) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL16233141 0.75 ADRA2A (0.54) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL8094329 0.75 AOC3 (0.43) TAAR1AOC3ADRA2AADRA2CCYP2D6
SCHEMBL15222220 0.75 ADRA2C (0.48) TAAR1AOC3ADRA2AADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
EP-3397706-A1 ANTI-BIOFOULING COATING BASED ON EPOXY RESIN AND AMINE-FUNCTIONAL POLYSILOXANE Dow Global Technologies LLC (US) 2018-11-07 EP disclosed
WO-2017113149-A1 ANTI-BIOFOULING COATING BASED ON EPOXY RESIN AND AMINE-FUNCTIONAL POLYSILOXANE DOW GLOBAL TECHNOLOGIES LLC (US) 2017-07-06 WO disclosed
EP-0669949-B1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS COGNIS CORP (US) 2002-03-13 EP disclosed
EP-0669949-A4 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS. HENKEL CORP (US) 1996-07-10 EP disclosed
EP-0669949-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1995-09-06 EP disclosed
US-5444127-A Urea, thiourea, guanidine derivatives, curing agents for epoxy resins, odorless, low temperature HENKEL CORPORATION (US) 1995-08-22 US disclosed
WO-1994009051-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1994-04-28 WO disclosed
EP-0014745-B1 CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE DIAMOND SHAMROCK CORPORATION (US) 1983-05-25 EP disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed
EP-0014745-A1 Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide DIAMOND SHAMROCK CORPORATION (US) 1980-09-03 EP disclosed
US-4177173-A INFUSIBLE FILMS, CASTINGS OR ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1979-12-04 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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 TAAR1 4811/4885AOC3 4153/4885ADRA2A 4679/4885

“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.