SCHEMBL721401

SCHEMBL721401

CCC(CC)C(=O)C(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
USP2 O75604 1/20 0.48
CA2 P00918 6/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 4/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
TDP1 Q9NUW8 3/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2600361 0.83 TSHR (0.42) TSHRUSP2CA2MAPK1CA1
SCHEMBL9389418 0.83 TSHR (0.42) TSHRUSP2CA2MAPK1CA1
SCHEMBL16338598 0.83 TSHR (0.42) TSHRUSP2CA2MAPK1CA1
SCHEMBL11328439 0.81 TSHR (0.40) TSHRUSP2CA2MAPK1CA1
SCHEMBL31331573 0.81 TSHR (0.40) TSHRUSP2CA2MAPK1CA1
SCHEMBL606212 0.81 HDAC1 (0.57) TSHRUSP2CA2MAPK1CA1
SCHEMBL9421152 0.81 TSHR (0.40) TSHRUSP2CA2MAPK1CA1
SCHEMBL8683568 0.78 CA2 (0.46) TSHRUSP2CA2MAPK1CA1
SCHEMBL11457168 0.78 TSHR (0.39) TSHRUSP2CA2MAPK1CA1
SCHEMBL8459086 0.78 TSHR (0.39) TSHRUSP2CA2MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140150333-A1 FUEL COMPOSITIONS SHELL OIL COMPANY (US) 2014-06-05 US claimed
US-20080244963-A1 Lead-Free Aviation Fuel TOTAL FRANCE (FR) 2008-10-09 US claimed
WO-2005073163-A1 A PROCESS FOR THE PREPARATION OF [2-(2,6-DICHLORO ANILINO) PHENYL] ACETOXY ACETIC ACID J.B.CHEMICALS & PHARMACEUTICALS LTD. (IN) 2005-08-11 WO claimed
EP-1042433-A1 IGNITION IMPROVED FUELS Akzo Nobel N.V. (NL) 2000-10-11 EP claimed
WO-1999032584-A1 IGNITION IMPROVED FUELS AKZO NOBEL N.V. (NL) 1999-07-01 WO claimed
EP-0772609-B1 CYCLIC KETONE PEROXIDE FORMULATIONS AKZO NOBEL NV (NL) 1999-02-24 EP claimed
US-5808110-A TRANSPORTABLE; STORAGE STABLE AKZO NOBEL NV (NL) 1998-09-15 US claimed
EP-0772609-A1 CYCLIC KETONE PEROXIDE FORMULATIONS Akzo Nobel N.V. (NL) 1997-05-14 EP claimed
WO-1996003397-A1 CYCLIC KETONE PEROXIDE FORMULATIONS AKZO NOBEL N.V. (NL) 1996-02-08 WO claimed
EP-0131804-B1 WATER-DISPERSIBLE COATING COMPOSITIONS AND PROCESS UNION CARBIDE CORPORATION (US) 1988-10-26 EP claimed
US-4511682-A BLOCK POLYMERIZATION OF POLYMERIC POLYOL AND POLYMERIC ANHYDRIDE UNION CARBIDE CORPORATION (US) 1985-04-16 US claimed
EP-0131804-A1 Water-dispersible coating compositions and process UNION CARBIDE CORPORATION (US) 1985-01-23 EP claimed
WO-1985000174-A1 WATER-DISPERSIBLE COATING COMPOSITIONS AND PROCESS UNION CARBIDE CORPORATION (US) 1985-01-17 WO claimed
US-12630731-B2 Non-aqueous ink composition DNP FINE CHEMICALS CO., LTD. (JP) 2026-05-19 US disclosed
US-12522739-B2 Ink composition DNP FINE CHEMICALS CO., LTD. (JP) 2026-01-13 US disclosed
EP-4653196-A1 HOLLOW FIBER DEGASSING MODULE, INKJET PRINTER, AND METHOD FOR DEGASSING LIQUID DIC Corporation (JP) 2025-11-26 EP disclosed
US-4017543-A ANTIARRHYTHMIA MERCK & CO., INC. (US) 1977-04-12 US disclosed
US-4016113-A AROMATIC AND ALKYL SUBSTITUTED AROMATIC ORTHO DIAMINES OLIN CORPORATION (US) 1977-04-05 US disclosed
US-3978127-A ANTIARRHYTHMIC MERCK & CO., INC. (US) 1976-08-31 US disclosed
US-3959381-A FROM CYCLOHEXYLBENZENE AND CUMENE OR CUMENE HYDROPEROXIDE, ACID CATALYST TEXACO INC. (US) 1976-05-25 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-12630731-B2 Non-aqueous ink composition EXOSC10, RPP30, RPS20 TSHR 2930/4885USP2 4035/4885CA2 3387/4885

“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.