SCHEMBL20135128

SCHEMBL20135128

COC(=O)c1ccc(C(=O)C2(OC)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MGLL Q99685 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL20135317 0.83 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL9628022 0.81 HPGD (0.50) CA1CA2TSHRMAPTALDH1A1
SCHEMBL12490189 0.79 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.77 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL23600 0.77 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL29387017 0.75 CA1 (0.70) CA1CA2CA12CA7CA9
Cyclohexane SCHEMBL1133519 0.75 CA1 (0.70) CA1CA2CA12CA7CA9
SCHEMBL10384839 0.75 CES2 (0.50) CA1CA2MAPTALDH1A1HPGD
SCHEMBL28993277 0.75 CA1 (0.76) CA1CA2CA12CA7CA9
Water SCHEMBL22720573 0.75 CA1 (0.76) CA1CA2CA12CA7CA9

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 CA1 1423/4885CA2 579/4885CA12 1365/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CA1 1245/4885CA2 470/4885CA12 1251/4885

“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.