SCHEMBL13688397

SCHEMBL13688397

C=C(C(=O)Oc1ccc(OC(=O)C(=C)C23CCCC2C3)cc1)C12CCCC1C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
ELANE P08246 2/20 0.32
POLB P06746 2/20 0.30
ALDH1A1 P00352 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
SCHEMBL13688370 0.93 ALDH1A1 (0.38) SMN1; SMN2GAAELANEPOLBALDH1A1
SCHEMBL13688398 0.91
SCHEMBL13688369 0.89 KMT2A (0.42) KMT2ASMN1; SMN2TDP1MAPTELANE
SCHEMBL13688354 0.88 ALDH1A1 (0.43) SMN1; SMN2GAAELANEPOLBALDH1A1
SCHEMBL14019720 0.87 L3MBTL1 (0.48) KMT2AHTTSMN1; SMN2TDP1MAPT
SCHEMBL14019706 0.81 NR3C1 (0.31)
SCHEMBL14019715 0.79 CYP19A1 (0.33) MAPT
SCHEMBL13688400 0.78 KMT2A (0.32) KMT2AATMGAAMAPTXBP1
SCHEMBL14019682 0.78 HSD17B10 (0.30)
SCHEMBL13688396 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585901-B2 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials IVOCLAR VIVADENT AG (LI) 2009-09-08 US disclosed
US-7585901-B2 Polymerizable bicyclic cyclopropane derivatives and their use for the preparation of dental materials IVOCLAR VIVADENT AG (LI) 2009-09-08 US disclosed
US-20080261118-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-20080261118-A1 OPTICAL RECORDING COMPOSITION AND HOLOGRAPHIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-7365222-B2 1,1-Disubstituted 2-vinylcyclopropanes; free radical polymerizable monomers IVOCLAR VIVADENT AG (LI) 2008-04-29 US disclosed
US-7365222-B2 1,1-Disubstituted 2-vinylcyclopropanes; free radical polymerizable monomers IVOCLAR VIVADENT AG (LI) 2008-04-29 US disclosed
US-20070232719-A1 POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2007-10-04 US disclosed
US-20070232719-A1 POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2007-10-04 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-20070232719-A1 POLYMERIZABLE BICYCLIC CYCLOPROPANE DERIVATIVES AND THEIR USE FOR THE PREPARATION OF DENTAL MATERIALS CBR1, CYP8B1, OXER1 KMT2A 4457/4885HTT 3107/4885SMN1; SMN2 3723/4885

“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.