SCHEMBL1072707

SCHEMBL1072707

CC(C=O)=CC1C(C(=O)OC2CCCCC2)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 2/20 0.33
HPGD P15428 1/20 0.32
NAAA Q02083 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
HTT P42858 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
SCHEMBL1072702 1.00 LMNA (0.40) LMNACYP2C19CYP1A2TSHREPHX1
SCHEMBL299035 0.87 LMNA (0.54) LMNACYP2C19CYP1A2TSHREPHX1
SCHEMBL1150124 0.85 EPHX1 (0.39) LMNACYP2C19TSHREPHX1NAAA
SCHEMBL1150121 0.85 EPHX1 (0.39) LMNACYP2C19TSHREPHX1NAAA
SCHEMBL1150119 0.85 EPHX1 (0.39) LMNACYP2C19TSHREPHX1NAAA
SCHEMBL295097 0.84 HPGD (0.46) LMNACYP2C19CYP1A2TSHREPHX1
SCHEMBL22931823 0.84 HPGD (0.46) LMNACYP2C19CYP1A2TSHREPHX1
SCHEMBL1073549 0.83 LMNA (0.40) LMNACYP2C19CYP1A2TSHREPHX1
SCHEMBL1073546 0.83 LMNA (0.40) LMNACYP2C19CYP1A2TSHREPHX1
SCHEMBL22931818 0.82 HPGD (0.47) LMNACYP2C19CYP1A2TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797953-B1 PROCESS FOR PRODUCING OXYGENIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2011-01-05 EP disclosed
US-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
US-7276622-B2 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-02 US disclosed
EP-1797953-A1 PROCESS FOR PRODUCING OXYGENIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-06-20 EP disclosed
US-20060173221-A1 Method for producing oxygen-containing compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-03 US disclosed
EP-1609777-A1 METHOD FOR PRODUCING OXYGEN-CONTAINING COMPOUND Sumitomo Chemical Company, Limited (JP) 2005-12-28 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 (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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT LMNA 3622/4885CYP2C19 638/4885CYP1A2 256/4885
US-20060173221-A1 Method for producing oxygen-containing compound GPX4, DUOX2, SCO2 LMNA 4036/4885CYP2C19 563/4885CYP1A2 347/4885

“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.