SCHEMBL1940383

SCHEMBL1940383

Oc1ccc2c(C34CC5CC(CC(C5)C3)C4)n[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 2/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ ESR1 P03372 1/20 0.45
▸ FGFR1 P11362 3/20 0.40
▸ FGFR2 P21802 3/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ AAK1 Q2M2I8 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL1939165 0.78 KDM4E (0.40) MEN1KMT2AGAAPOLBGFER
SCHEMBL17287295 0.78 CNR2 (0.52) PDPK1FGFR1MEN1KMT2AGAA
SCHEMBL1941055 0.72 ESR1 (0.45) ESR1HSP90AA1
SCHEMBL22160417 0.70 KDM4E (0.47) PDPK1FGFR1GAAPOLBCNR2
SCHEMBL31747999 0.70 KDM4E (0.47) PDPK1FGFR1GAAPOLBCNR2
SCHEMBL2306834 0.68 HSP90AB1 (0.53) HSP90AB1PDPK1ESR1FGFR1FGFR2
SCHEMBL10130804 0.68 PDPK1 (0.61) HSP90AB1PDPK1ESR1FGFR1FGFR2
Hydrochloric Acid SCHEMBL2304222 0.67 HSP90AB1 (0.51) HSP90AB1PDPK1ESR1FGFR1FGFR2
SCHEMBL176952 0.66 PDPK1 (0.59) HSP90AB1PDPK1ESR1FGFR1FGFR2
SCHEMBL13184208 0.66 HSP90AB1 (0.59) HSP90AB1PDPK1ESR1FGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173679-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2012-05-08 — — US disclosed
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2011-09-29 — — US disclosed
US-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 — — US disclosed
EP-1812404-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS THERAMEX (MC) 2011-06-15 — — EP disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 — — US disclosed
EP-1812404-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2007-08-01 — — EP disclosed
WO-2006040351-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS LABORATOIRE THERAMEX (MC) 2006-04-20 — — WO disclosed
EP-1647549-A1 Indazoles, benzisoxazoles and benzisothiazoles as estrogenic agents LABORATOIRE THERAMEX (MC) 2006-04-19 — — 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-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 HSP90AB1 2695/4885PDPK1 2342/4885ESR1 1/4885
US-20110237624-A1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS ESR1, ESR2, GPER1 HSP90AB1 2695/4885PDPK1 2342/4885ESR1 1/4885

“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.

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