SCHEMBL8616249

SCHEMBL8616249

COCC1CCC(CO)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.34
ESR2 Q92731 6/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 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
SCHEMBL20511474 1.00 ESR1 (0.34) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL9406356 0.93 ESR1 (0.31) ESR1ESR2CYP3A4CYP2C9
SCHEMBL9406344 0.93 ESR1 (0.31) ESR1ESR2CYP3A4CYP2C9
SCHEMBL9406353 0.93 ESR1 (0.31) ESR1ESR2CYP3A4CYP2C9
SCHEMBL17252249 0.86 JAK2 (0.31)
SCHEMBL17253449 0.86 JAK2 (0.31)
SCHEMBL10107071 0.86 JAK2 (0.31)
SCHEMBL131878 0.86
SCHEMBL25068750 0.85 EPHX2 (0.35)
SCHEMBL15577005 0.85 EPHX2 (0.35)

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018175628-A1 BIOCATALYTIC SYNTHESIS OF STRAINED CARBOCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-27 WO disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
US-8900791-B2 Actinic ray-sensitive or radiation-sensitive resin composition and method of forming pattern with the composition FUJIFILM CORPORATION (JP) 2014-12-02 US disclosed
US-8900791-B2 Actinic ray-sensitive or radiation-sensitive resin composition and method of forming pattern with the composition FUJIFILM CORPORATION (JP) 2014-12-02 US disclosed
US-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-14 US disclosed
US-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-14 US disclosed
WO-2010035905-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-04-01 WO disclosed
EP-1173421-B1 INDOLE DERIVATIVES AS ANTI-INFLAMMATION AGENTS ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
CN-1060150-C Process EASTMAN CHEM CO (US) 2001-01-03 CN disclosed
US-5286725-A Pyridazinones endowed with acaricide and insecticide action MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-02-15 US disclosed
EP-0415859-B1 Polyesters colored with the residue of heat stable anthraquinone compounds EASTMAN KODAK CO (US) 1993-11-03 EP disclosed
EP-0489841-A1 POLYESTERS COLORED WITH THE RESIDUE OF HEAT STABLE ANTHRAQUINONE COMPOUNDS EASTMAN KODAK COMPANY (US) 1992-06-17 EP disclosed
EP-0476573-A1 2-tButyl-4-chloro-5-(4-ibutylmethylcyclohexyl)-methylthio-3(H)-pyridazinone having acaricidal and insecticidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-03-25 EP disclosed
WO-1991003509-A1 POLYESTERS COLORED WITH THE RESIDUE OF HEAT STABLE ANTHRAQUINONE COMPOUNDS EASTMAN KODAK COMPANY (US) 1991-03-21 WO disclosed
US-4999418-A Food Containers EASTMAN KODAK COMPANY (US) 1991-03-12 US disclosed
EP-0415859-A1 Polyesters colored with the residue of heat stable anthraquinone compounds EASTMAN CHEMICAL COMPANY (US) 1991-03-06 EP disclosed
EP-0132839-B1 TERPENE ETHERS AND PROCESS FOR THEIR PRODUCTION HOECHST AKTIENGESELLSCHAFT (DE) 1987-02-04 EP disclosed
US-4590302-A Terpene ethers HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0132839-A1 Terpene ethers and process for their production HOECHST AKTIENGESELLSCHAFT (DE) 1985-02-13 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 ESR1 512/4885ESR2 488/4885CYP3A4 122/4885
US-20110171577-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN WITH THE COMPOSITION ARSA, RAD51, ARID2 ESR1 492/4885ESR2 178/4885CYP3A4 3366/4885

“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.