SCHEMBL11996064

SCHEMBL11996064

CCC1(C(=O)O)COCC(C)(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
EPHX1 P07099 1/20 0.31
GAA P10253 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
SCHEMBL353800 0.83
SCHEMBL20802082 0.79 FFAR3 (0.48) FFAR3
SCHEMBL353254 0.76
SCHEMBL5599762 0.75 CYP2C19 (0.31)
SCHEMBL11964818 0.73 CYP4F2 (0.33)
SCHEMBL11996073 0.72 ATM (0.36)
SCHEMBL10536699 0.71 CYP4F2 (0.32) EPHX1
SCHEMBL2632835 0.70
SCHEMBL15708421 0.69 KCNA4 (0.32) FFAR3
SCHEMBL14086684 0.69 USP2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999576-B2 Dental composition DENTSPLY DETREY GMBH (DE) 2018-06-19 US disclosed
US-20170252271-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-09-07 US disclosed
US-9682019-B2 Dental composition Dentsply DeTry GmbH (DE) 2017-06-20 US disclosed
US-20120214900-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-08-23 US disclosed
US-7410747-B2 Positive resist composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2008-08-12 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 (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-20170252271-A1 DENTAL COMPOSITION COG1, PICALM, TUBGCP3 FFAR3 2679/4885EPHX1 1239/4885GAA 180/4885
US-20120214900-A1 DENTAL COMPOSITION PICALM, COIL, COG1 FFAR3 1798/4885EPHX1 1009/4885GAA 172/4885

“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.