SCHEMBL232172

SCHEMBL232172

CC1=C(C)CC(C(=O)O)=C(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR3 O14843 2/20 0.30
PYGM P11217 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
SCHEMBL30770833 0.90
SCHEMBL9255427 0.87 TDP1 (0.32)
SCHEMBL1858435 0.83 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL11430568 0.79 FFAR3 (0.36) ALDH1A1FFAR3PYGM
SCHEMBL2296442 0.79
SCHEMBL25337505 0.76
SCHEMBL28685647 0.75
SCHEMBL623976 0.73
SCHEMBL31518852 0.69 PYGM (0.32) TPMTALDH1A1SMN1; SMN2PYGM
SCHEMBL765594 0.69

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
WO-2014106122-A1 COMPOSITIONS AND METHODS FOR BIO-BUTADIENE PRODUCTION SCREENING GENOMATICA, INC. (US) 2014-07-03 WO disclosed
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-05 US disclosed
EP-2392555-A2 FULLERENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME Korea Research Institute of Chemical Technology (KRICT) (KR) 2011-12-07 EP disclosed
WO-2010087655-A2 FULLERENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME 한국화학연구원 (KR) 2010-08-05 WO disclosed
US-5583261-A FOR APPLICATION TO PLANTS TO TREAT POWDERY MILDEW BRITISH TECHNOLOGY GROUP LTD. (GB) 1996-12-10 US disclosed
US-5464873-A Antigrowth agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-07 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-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same SCO2, VDAC2, TRPA1 TPMT 1457/4885ALDH1A1 2704/4885SMN1; SMN2 3736/4885

“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.