SCHEMBL21074580

SCHEMBL21074580

C=CC1CC1(C(=O)OC)C(=O)OCCNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
CA12 O43570 7/20 0.36
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA9 Q16790 7/20 0.36
EPHX1 P07099 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1H O95180 1/20 0.34
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL18556468 0.82 MAPT (0.31)
SCHEMBL19849318 0.81 ALDH1A1 (0.34) EPHX1MEN1KMT2A
SCHEMBL20663679 0.80 ACHE (0.41) EPHX1MEN1KMT2A
SCHEMBL19849316 0.79 ACHE (0.39) MEN1KMT2A
SCHEMBL16865195 0.78 ALDH1A1 (0.37)
SCHEMBL19849305 0.78 MEN1 (0.44) EPHX1MEN1KMT2A
SCHEMBL19849335 0.77
SCHEMBL19849322 0.76 MEN1 (0.49) MEN1KMT2A
SCHEMBL21074501 0.76 ACHE (0.41) MEN1KMT2A
SCHEMBL7109697 0.76 TSHR (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135136-B2 Dental materials based on urethane-group-containing vinylcyclopropane derivatives IVOCLAR VIVADENT AG (LI) 2021-10-05 US disclosed
US-10660825-B2 2020-05-26 US disclosed
US-20190167533-A1 DENTAL MATERIALS BASED ON URETHANE-GROUP-CONTAINING VINYLCYCLOPROPANE DERIVATIVES IVOCLAR VIVADENT AG (LI) 2019-06-06 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 (3 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-20190167533-A1 DENTAL MATERIALS BASED ON URETHANE-GROUP-CONTAINING VINYLCYCLOPROPANE DERIVATIVES RAD51, CBR1, DECR1 IDO1 4712/4885CA12 1631/4885CA1 497/4885
US-11135136-B2 Dental materials based on urethane-group-containing vinylcyclopropane derivatives RAD51, CBR1, DECR1 IDO1 4712/4885CA12 1631/4885CA1 497/4885
US-10660825-B2 OXER1, CBR1, RAD51 IDO1 4146/4885CA12 2117/4885CA1 939/4885

“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.