SCHEMBL1026522

SCHEMBL1026522

C#CCC(C#N)(CC#C)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1963 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL8399191 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL7722774 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL379262 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL13622353 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL17212019 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL14016347 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL1313060 0.75 CYP4F2 (0.47) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL9748657 0.75 MMP8 (0.44) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL2410161 0.74 MMP8 (0.49) MEN1KMT2AALDH1A1TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274316-B1 LIGANDS OF ESTROGEN RECEPTORS AND , METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM USTAV MOLEKULARNI GENETIKY AV CR V V I (CZ) 2013-02-13 EP disclosed
EP-2274316-B1 LIGANDS OF ESTROGEN RECEPTORS AND , METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM USTAV MOLEKULARNI GENETIKY AV CR V V I (CZ) 2013-02-13 EP disclosed
US-8334280-B2 Ligands of estrogen receptors α and β, method of their preparation, and pharmaceuticals comprising them Ustav Molekularni Genetikv AV CR, V.V.I. (CZ) 2012-12-18 US disclosed
US-8334280-B2 Ligands of estrogen receptors α and β, method of their preparation, and pharmaceuticals comprising them Ustav Molekularni Genetikv AV CR, V.V.I. (CZ) 2012-12-18 US disclosed
US-8334280-B2 Ligands of estrogen receptors α and β, method of their preparation, and pharmaceuticals comprising them Ustav Molekularni Genetikv AV CR, V.V.I. (CZ) 2012-12-18 US disclosed
US-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them UNIVERZITA KARLOVA V PRAZE, PRIRODOVEDECKA FAKULTA UK (CZ) 2011-05-19 US disclosed
US-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them UNIVERZITA KARLOVA V PRAZE, PRIRODOVEDECKA FAKULTA UK (CZ) 2011-05-19 US disclosed
US-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them UNIVERZITA KARLOVA V PRAZE, PRIRODOVEDECKA FAKULTA UK (CZ) 2011-05-19 US disclosed
EP-2274316-A1 LIGANDS OF ESTROGEN RECEPTORS AND , METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM Ustav Molekularni Genetiky Av Cr, V.v.i. (CZ) 2011-01-19 EP disclosed
WO-2009135449-A1 LIGANDS OF ESTROGEN RECEPTORS α AND β, METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM USTAV MOLEKULARNI GENETIKY AV CR, V.V.I. (CZ) 2009-11-12 WO disclosed
WO-2009135449-A1 LIGANDS OF ESTROGEN RECEPTORS α AND β, METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM USTAV MOLEKULARNI GENETIKY AV CR, V.V.I. (CZ) 2009-11-12 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 (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-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them ESR2, GPER1, ESRRB MEN1 3851/4885KMT2A 4035/4885ALDH1A1 1217/4885

“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.