SCHEMBL2818882

SCHEMBL2818882

CCCC1CCCCCCC(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.54
NOS1 P29475 4/20 0.39
NOS2 P35228 4/20 0.39
NOS3 P29474 3/20 0.39
PPARG P37231 1/20 0.38
CA1 P00915 2/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.35
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
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
SCHEMBL15658728 1.00 CYP1A2 (0.54) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL11099421 1.00 CYP1A2 (0.54) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL15658146 1.00 CYP1A2 (0.54) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL15658234 1.00 CYP1A2 (0.54) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL24668103 1.00 CYP1A2 (0.54) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL1301295 1.00 CYP1A2 (0.54) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL24667636 1.00 CYP1A2 (0.54) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL5998582 1.00 CYP1A2 (0.54) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL1930905 0.98 CYP1A2 (0.56) CYP1A2NOS1NOS2NOS3PPARG
SCHEMBL310717 0.92 CYP1A2 (0.58) CYP1A2NOS1NOS2NOS3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106635-A1 HYPOALLERGENIC RECOMBINANT MILK PROTEINS AND COMPOSITIONS COMPRISING THE SAME Perfect Day, Inc. 2023-04-06 US disclosed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-20210120859-A1 FORTIFIED PLANT-BASED FORMULATIONS IVOLUTION ORGANIC WHOLE FOODS INC. (CA) 2021-04-29 US disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
EP-3124561-A1 ACTIVE ENERGY RAY-CURABLE INKJET INK Toyo Ink SC Holdings Co., Ltd. (JP) 2017-02-01 EP disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-20100247467-A1 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY FIRMENICH SA (CH) 2010-09-30 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-20100247467-A1 ALPHA-SUBSTITUTED CYCLOPENTANECARBONITRILES OR CYCLOHEXANECARBONITRILES AND THEIR USE IN PERFUMERY PNN, FASN, CYP8B1 CYP1A2 251/4885NOS1 103/4885NOS2 267/4885

“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.