SCHEMBL20135292

SCHEMBL20135292

CCOc1cc(C(=O)O)ccc1C(=O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
TTR P02766 1/20 0.50
LMNA P02545 1/20 0.49
RXRA P19793 1/20 0.48
HNF4A P41235 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.46
PLA2G4B P0C869 1/20 0.45
CREBBP Q92793 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 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
SCHEMBL7009346 0.88 TSHR (0.59) TSHRPOLBCASP6TTRLMNA
SCHEMBL2877001 0.85 TSHR (0.68) TSHRPOLBCASP6TTRLMNA
SCHEMBL20135066 0.85 HSD17B2 (0.51) LMNAGAACA12CA1CA2
SCHEMBL20135385 0.83 CA12 (0.61) TSHRTTRLMNACA12CA1
SCHEMBL29688804 0.80 KDM4E (0.49) TSHRPOLBLMNAKDM4ESMN1; SMN2
SCHEMBL20135145 0.80 KDM4E (0.49) TSHRPOLBLMNAKDM4ESMN1; SMN2
SCHEMBL30024762 0.80 TSHR (0.60) TSHRPOLBCASP6TTRLMNA
SCHEMBL28953105 0.80 TSHR (0.65) TSHRPOLBCASP6TTRLMNA
SCHEMBL17559347 0.80 TSHR (0.60) TSHRPOLBCASP6TTRLMNA
SCHEMBL23793741 0.80 TSHR (0.64) TSHRPOLBCASP6TTRLMNA

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
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
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 TSHR 3522/4885POLB 1991/4885CASP6 643/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TSHR 3141/4885POLB 1970/4885CASP6 611/4885

“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.