SCHEMBL7918213

SCHEMBL7918213

O=C(O)c1ccc2cccc(C3CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 2/20 0.50
PTPN1 P18031 1/20 0.46
CREBBP Q92793 1/20 0.46
KMO O15229 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2C Q14957 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL10148398 0.87 PTPN1 (0.58) PLA2G2DPTPN1CREBBPKMOMEN1
SCHEMBL16502635 0.87 PLA2G2D (0.45) PLA2G2DPTPN1CREBBPKMOMEN1
SCHEMBL16502580 0.82 PDK2 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL16502711 0.81 PLA2G2D (0.43) PLA2G2DPTPN1CREBBPRORC
SCHEMBL7919828 0.80 SLC9A1 (0.52) CYP2D6
SCHEMBL29898216 0.78 GRIN2D (0.59) PLA2G2DPTPN1CREBBPKMOMEN1
SCHEMBL10080461 0.78 GRIN2D (0.59) PLA2G2DPTPN1CREBBPKMOMEN1
SCHEMBL10148390 0.77 RARG (0.56) CREBBPKMOCA12CA1CA2
SCHEMBL19297195 0.77 HTR1D (0.45) PTPN1
SCHEMBL30735531 0.77 HTR1D (0.45) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 PLA2G2D 1770/4885PTPN1 3792/4885CREBBP 2909/4885
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A PLA2G2D 841/4885PTPN1 2674/4885CREBBP 3815/4885

“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.