SCHEMBL9566622

SCHEMBL9566622

C=CCc1ccc(OC(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
THRB P10828 2/20 0.45
PTGS1 P23219 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KIF11 P52732 1/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 1/20 0.41
XDH P47989 1/20 0.40

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
SCHEMBL978551 0.85 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL7157961 0.85 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9861011 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL311913 0.83 THRB (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL16340149 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9860302 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL11362243 0.81 KMT2A (0.53) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10823711 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL797506 0.81 SMN1; SMN2 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL3420088 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369298-A Novel cured resin, process for production thereof, and lens composed of said resin from bis(alkyleneoxyphenyl)-diacrylate, bis(alkyleneoxyphenyl)diallyl ether, bis(alkyleneoxyphenyl)diallyl carbonate monomers TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1983-01-18 US claimed
US-11679341-B2 Differentiation of natural vitamin E from synthetic vitamin E and quantification of tocopherols by supercritical fluid chromatography WATERS TECHNOLOGIES CORPORATION (US) 2023-06-20 US disclosed
CN-115677609-A Method for self-cyclizing cyanation of phenyl allyl carbamate derivative 湖北工业大学 2023-02-03 CN disclosed
US-20210339167-A1 DIFFERENTIATION OF NATURAL VITAMIN E FROM SYNTHETIC VITAMIN E AND QUANTIFICATION OF TOCOPHEROLS BY SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION (US) 2021-11-04 US disclosed
CN-107207422-B Low by-product polyphenylene polymethylene polyisocyanate 巴斯夫欧洲公司 2020-12-11 CN disclosed
US-20180009742-A1 LOW BY-PRODUCT CONTENT POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES BASF SE (DE) 2018-01-11 US disclosed
EP-0552824-A2 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
US-4861872-A Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-08-29 US disclosed
EP-0281951-A1 Alkyl-phenylcarbamate derivative of polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-14 EP disclosed
US-4369298-A Novel cured resin, process for production thereof, and lens composed of said resin from bis(alkyleneoxyphenyl)-diacrylate, bis(alkyleneoxyphenyl)diallyl ether, bis(alkyleneoxyphenyl)diallyl carbonate monomers TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1983-01-18 US disclosed
US-4059615-A INSECTICIDE, POLYMER INTERMEDIATE HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-11-22 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-20180009742-A1 LOW BY-PRODUCT CONTENT POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES C9, PKD1, PCNA ALDH1A1 4425/4885CYP3A4 1013/4885SMN1; SMN2 3300/4885

“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.