SCHEMBL818573

SCHEMBL818573

CC=CCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.46
NOS1 P29475 1/20 0.46
CYP1A2 P05177 1/20 0.37
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
ACHE P22303 1/20 0.32
CHRM5 P08912 2/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
SIGMAR1 Q99720 3/20 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
SCHEMBL10597539 1.00 NOS2 (0.46) NOS2NOS1CYP1A2ADH1BADH1C
SCHEMBL10597549 1.00 NOS2 (0.46) NOS2NOS1CYP1A2ADH1BADH1C
SCHEMBL818572 1.00 NOS2 (0.46) NOS2NOS1CYP1A2ADH1BADH1C
SCHEMBL3931959 1.00 NOS2 (0.46) NOS2NOS1CYP1A2ADH1BADH1C
SCHEMBL397148 0.97
SCHEMBL3932444 0.92
SCHEMBL8530783 0.87 CYP1A2 (0.48) NOS2NOS1CYP1A2SIGMAR1
SCHEMBL10512459 0.86 NOS1 (0.41) NOS2NOS1
SCHEMBL3935708 0.86
SCHEMBL19595018 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312224-B2 Pyrimidine derivatives MERCK PATENT GMBH (DE) 2007-12-25 US claimed
US-20040242595-A1 Pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-12-02 US claimed
US-4371701-A RUST INHIBITORS IN GASOLINE STANDARD OIL COMPANY (INDIANA) (US) 1983-02-01 US claimed
EP-3884019-A1 HOME CARE COMPOSITIONS Colgate-Palmolive Company (US) 2021-09-29 EP disclosed
CN-113227340-A Home care compositions 高露洁-棕榄公司 2021-08-06 CN disclosed
US-11008533-B2 Home care compositions COLGATE-PALMOLIVE COMPANY (US) 2021-05-18 US disclosed
US-20200208081-A1 HOME CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2020-07-02 US disclosed
WO-2020139335-A1 HOME CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2020-07-02 WO disclosed
CN-105874153-B Modified hydrocarbon resins as fluid loss additives 佐治亚-太平洋化工品有限公司 2019-04-30 CN disclosed
US-10005947-B2 Modified hydrocarbon resins as fluid loss additives INGEVITY SOUTH CAROLINA, LLC (US) 2018-06-26 US disclosed
CN-106232783-A Emulsifier component and using method thereof 路博润公司 2016-12-14 CN disclosed
US-4433100-A DICYCLOPENTADIENE, NON-AROMATIC UNSATURATED HYDROCARBON, FATTY OR ROSIN ACID NEVILLE CHEMICAL COMPANY (US) 1984-02-21 US disclosed
US-4405757-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics HOWELL BOBBY A 1983-09-20 US disclosed
US-4401799-A ORGANOALUMINUM COMPOUND, ALIPHATIC ETHER, ALIPHATIC POLYCHLORIDE TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1983-08-30 US disclosed
US-4282159-A Preparation of alkylene oxides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-08-04 US disclosed
US-4234720-A Prostaglandin derivatives ABBOTT LABORATORIES (US) 1980-11-18 US disclosed
US-4188331-A Prostaglandin derivatives ABBOTT LABORATORIES (US) 1980-02-12 US disclosed
US-4183826-A Titanium trichloride catalyst and process for the production thereof TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1980-01-15 US disclosed
US-4036896-A FREE RADICAL CATALYST UNIVERSAL OIL PRODUCTS COMPANY (US) 1977-07-19 US disclosed
US-4010217-A NITROSYL MOLYBDENUM OR TUNGSTEN COORDINATION CATALYST, ORGANOALUMINUM ADJUVANT PHILLIPS PETROLEUM COMPANY (US) 1977-03-01 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-20040242595-A1 Pyrimidine derivatives TYMP, DPYD, TYMS NOS2 1714/4885NOS1 839/4885CYP1A2 361/4885

“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.