SCHEMBL12470737

SCHEMBL12470737

CCC(C)(CC)c1cnc(C(C)(CC)CC)nc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL12948230 0.88 ESR1 (0.31) ESR1ESR2
SCHEMBL14580036 0.86 NPC1 (0.32)
SCHEMBL22778748 0.85 P2RX7 (0.37)
SCHEMBL19497735 0.81 APLNR (0.35)
SCHEMBL19250997 0.81 ESR1 (0.31) ESR1ESR2
SCHEMBL19363966 0.79 ESR1 (0.38) ESR1ESR2
SCHEMBL22778781 0.79 CYP19A1 (0.32) ESR1ESR2
SCHEMBL24967802 0.76 ESR1 (0.32) ESR1ESR2
SCHEMBL22752392 0.76 GRM5 (0.40)
SCHEMBL22752318 0.76 AOC3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640251-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2021-12-08 EP disclosed
US-20210284636-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2021-09-16 US disclosed
EP-3640251-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2020-04-22 EP disclosed
WO-2018077630-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2018-05-03 WO disclosed
US-20180111931-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-26 US disclosed
WO-2018019793-A1 N-(2-(4-((1R,3R)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOL-1-YL)PHENOXY)ETHYL)PROPAN-1-AMINE DERIVATIVES AND RELATED COMPOUNDS AS SELECTIVE DOWN-REGULATORS OF THE ESTROGEN RECEPTOR FOR TREATING CANCER ASTRAZENECA AB (SE) 2018-02-01 WO disclosed
WO-2017182493-A1 INDAZOLE DERIVATIVES FOR USE IN DOWN-REGULATION OF THE ESTROGEN RECEPTOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2017-10-26 WO disclosed
US-7985864-B2 Organic dye used in dye-sensitized solar cell CTCI FOUNDATION (TW) 2011-07-26 US disclosed
US-20110077408-A1 ORGANIC DYE USED IN DYE-SENSITIZED SOLAR CELL CTCI FOUNDATION (TW) 2011-03-31 US 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 (3 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-20110077408-A1 ORGANIC DYE USED IN DYE-SENSITIZED SOLAR CELL SP1, ASPH, CCND1 ESR1 708/4885ESR2 2305/4885
US-20180111931-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 ESR1 1114/4885ESR2 806/4885
US-20210284636-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 ESR1 1114/4885ESR2 806/4885

“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.