SCHEMBL412687

SCHEMBL412687

Cc1cc(C)c2c(c1)C(C)CC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.56
SIGMAR1 Q99720 1/20 0.40
KDM4C Q9H3R0 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2A13 Q16696 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
RAPGEF4 Q8WZA2 2/20 0.30
PSMB5 P28074 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL14543582 0.82 UGT2B17 (0.44) UGT2B17SIGMAR1ALDH1A1
SCHEMBL17278091 0.80 HTR2C (0.44) UGT2B17
SCHEMBL20368645 0.80 HTR2A (0.44) UGT2B17CYP2A6CYP2A13ALDH1A1TSHR
SCHEMBL1508636 0.78 UGT2B17 (0.82) UGT2B17SIGMAR1KDM4CDRD2DRD1
SCHEMBL13114074 0.78 UGT2B17 (0.55) UGT2B17SIGMAR1KDM4CDRD2DRD1
SCHEMBL20368640 0.75 UGT2B17 (0.51) UGT2B17SIGMAR1KDM4CRAPGEF4PSMB5
SCHEMBL20078381 0.75 UGT2B17 (0.51) UGT2B17SIGMAR1KDM4CALDH1A1DRD2
SCHEMBL30863839 0.72 UGT2B17 (0.32) UGT2B17
SCHEMBL30863838 0.72 UGT2B17 (0.32) UGT2B17
SCHEMBL19827773 0.72 UGT2B17 (0.41) UGT2B17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895789-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-25 US claimed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-8895789-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-25 US disclosed
US-8876920-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-04 US disclosed
EP-2367907-B1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INT RESEARCH (NL) 2013-04-24 EP disclosed
EP-2367908-B1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INT RESEARCH (NL) 2013-02-20 EP disclosed
US-20120101316-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT SHELL OIL COMPANY 2012-04-26 US disclosed
US-20120022304-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL OIL COMPANY (US) 2012-01-26 US disclosed
EP-2367908-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
EP-2367906-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
EP-2367907-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
WO-2010066879-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed
WO-2010066876-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed
WO-2010066881-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 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 (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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 UGT2B17 2424/4885SIGMAR1 2701/4885KDM4C 1168/4885

“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.