SCHEMBL9720290

SCHEMBL9720290

CC(C)CN(CC(C)C)CN(CC(C)C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
PIK3CD O00329 1/20 0.32

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
SCHEMBL65000 0.84 CYP1A2 (0.53) CYP1A2MAPK1CA12CA1CA2
SCHEMBL14328669 0.81 CYP1A2 (0.40) CYP1A2MAPK1CA12CA1CA2
SCHEMBL8021435 0.80 CYP1A2 (0.50) CYP1A2MAPK1CA12CA1CA2
Hydrochloric Acid SCHEMBL2139422 0.80 CYP1A2 (0.50) CYP1A2MAPK1CA12CA1CA2
Ammonia Solution, Strong SCHEMBL5964780 0.80 CYP1A2 (0.50) CYP1A2MAPK1CA12CA1CA2
Fluoride SCHEMBL1056432 0.80 CYP1A2 (0.50) CYP1A2MAPK1CA12CA1CA2
SCHEMBL20364051 0.78 PIK3CD (0.41) CYP1A2MAPK1CA12CA1CA2
Methylamine SCHEMBL6867533 0.77 MAPK1 (0.48) CYP1A2MAPK1CA12CA1CA2
SCHEMBL15016045 0.77 CYP1A2 (0.48) CYP1A2MAPK1CA12CA1CA2
SCHEMBL11997884 0.76 CYP1A2 (0.42) CYP1A2MAPK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
US-5138093-A Process for preparing ethylidene diacetate EASTMAN KODAK COMPANY (US) 1992-08-11 US disclosed
US-4843170-A Process for producing vinyl acetate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-06-27 US disclosed
US-4659865-A CHEAPER CATALYST COMPRISING OF NICKEL COBALT AND IODIDES COMPOUNDS MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1987-04-21 US disclosed
EP-0028515-B1 PROCESS FOR PRODUCING ETHYLIDENEDIACETATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-03-21 EP disclosed
EP-0025702-B1 PROCESS FOR PRODUCING ETHYLIDENEDIACETATE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-01-18 EP disclosed
US-4421863-A METHANOL AND ETHYLENE GLYCOL FROM SYNTHESIS GAS TEXACO INC. (US) 1983-12-20 US disclosed
EP-0028474-B1 PROCESS FOR PRODUCING VINYL ACETATE, ACETIC ACID AND ETHANOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-10-05 EP disclosed
US-4399233-A Process for preparing low molecular weight oxygenated compounds from syngas using novel catalyst system TEXACO INC. (US) 1983-08-16 US disclosed
US-4302611-A Preparation of acetaldehyde HALCON RESEARCH & DEVELOPMENT CORP. (US) 1981-11-24 US disclosed
US-4201868-A Reaction of methanol with synthesis gas CELANESE CORPORATION (US) 1980-05-06 US disclosed
US-4191701-A WITH CARBON MONOXIDE UNION CARBIDE CORPORATION (US) 1980-03-04 US disclosed
US-4133776-A Manufacture of polyfunctional compounds UNION CARBIDE CORPORATION (US) 1979-01-09 US disclosed
US-4013700-A QUATERNARY PHOSPHONIUM AND RHODIUM CARBONYL COMPLEX UNION CARBIDE CORPORATION (US) 1977-03-22 US disclosed
US-4001289-A SOLVENT EXTRACTION, RHODIUM CARBONYL, ETHYLENE GLYCOL UNION CARBIDE CORPORATION (US) 1977-01-04 US disclosed
US-3989799-A CATALYSTS UNION CARBIDE CORPORATION (US) 1976-11-02 US disclosed
US-3968136-A FROM LACTONES, RHODIUM CARBONYL COMPLEX UNION CARBIDE CORPORATION (US) 1976-07-06 US disclosed
US-3957857-A CATALYTIC PROCESS FOR POLYHYDRIC ALCOHOLS AND DERIVATIVES UNION CARBIDE CORPORATION (US) 1976-05-18 US disclosed
US-3948965-A BIS (TRIORGANO PHOSPHINE) IMINIUM UNION CARBIDE CORPORATION (US) 1976-04-06 US disclosed
US-3940432-A AND METHANOL FROM HYDROGEN AND CARBON MONOXIDE, RHODIUM CARBONYL CATALYST UNION CARBIDE CORPORATION (US) 1976-02-24 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 (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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 CYP1A2 2465/4885MAPK1 2424/4885CA12 805/4885

“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.