Sugi Predict

Sugi Predict / Compounds / SCHEMBL13688355

SCHEMBL13688355

SCHEMBL13688355

C=C(C(=O)OCC)C12CCCC1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ THPO P40225 1/20 0.37

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
SCHEMBL14019717 0.87 THRB (0.46) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL14019694 0.87 CYP3A4 (0.35) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL13688399 0.84 CYP3A4 (0.33) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL14019710 0.84 CYP3A4 (0.32) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL13688383 0.84 THRB (0.41) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL14019721 0.83 CYP3A4 (0.35) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL4004361 0.83 TSHR (0.36) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL13688401 0.83 CYP3A4 (0.31) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL14019713 0.82 CYP3A4 (0.34) CYP3A4TSHRLMNACYP1A2ABCB11
SCHEMBL13688379 0.81 CYP3A4 (0.32) CYP3A4TSHRLMNACYP1A2ABCB11

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 4 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-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 CYP3A4 179/4885TSHR 2827/4885LMNA 1064/4885

“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.