SCHEMBL2618697

SCHEMBL2618697

CCC(C)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TAAR1 Q96RJ0 3/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL14270575 0.89 PTGS1 (0.56) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL12561980 0.89 PTGS1 (0.56) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL2633504 0.89 PTGS1 (0.56) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL8209755 0.86 PTGS1 (0.49) KMT2AMEN1
SCHEMBL22854153 0.86 MEN1 (0.52) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11621846 0.84 TAAR1 (0.51) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12473019 0.83 KMT2A (0.56) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24218337 0.82 CYP2D6 (0.50) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL108228 0.80 CYP3A4 (0.54) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL70200 0.80 MEN1 (0.55) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12044968-B2 Protective film-forming composition having acetal structure and amide structure NISSAN CHEMICAL CORPORATION (JP) 2024-07-23 US disclosed
US-12044968-B2 Protective film-forming composition having acetal structure and amide structure NISSAN CHEMICAL CORPORATION (JP) 2024-07-23 US disclosed
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11667620-B2 Composition, film, film-forming method and patterned substrate-producing method JSR CORPORATION (JP) 2023-06-06 US disclosed
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-02-09 US disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2020-09-15 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-9971245-B2 Silicon-containing polymer, silicon-containing compound, composition for forming a resist under layer film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-15 US disclosed
US-7521168-B2 Compound that has a reduction potential higher than that of diphenyl iodonium salt and generates an acid upon irradiation of an actinic ray or radiation. FUJIFILM CORPORATION (JP) 2009-04-21 US disclosed
US-7510822-B2 Stimulation sensitive composition and compound FUJIFILM CORPORATION (JP) 2009-03-31 US disclosed
US-20090075202-A1 PHOTOSENSITIVE COMPOSITION, COMPOUND FOR USE IN THE PHOTOSENSITIVE COMPOSITION, AND METHOD OF PATTERN FORMATION WITH THE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-7449573-B2 Photosensitive composition, compound for use in the photosensitive composition, and method of pattern formation with the photosensitive composition FUJIFILM CORPORATION (JP) 2008-11-11 US disclosed
US-20080274421-A1 PHOTOSENSITIVE COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-11-06 US disclosed
US-7432034-B2 Negative resist composition FUJIFILM CORPORATION (JP) 2008-10-07 US disclosed
US-20080241745-A1 Mixture of alkali soluble polymer, crosslinking agent, acid generator ; radiation with actinic radiation; quaternary ammonium compound FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-7341817-B2 Photosensitive composition, compound for use in the photosensitive composition, and pattern forming method using the photosensitive composition FUJIFILM CORPORATION (JP) 2008-03-11 US disclosed
US-7323286-B2 Photosensitive composition, compound used in the same, and patterning method using the same FUJIFILM CORPORATION (JP) 2008-01-29 US disclosed
US-7189492-B2 Photosensitive composition and pattern forming method using the same FUJI PHOTO FILM CO., LTD. (JP) 2007-03-13 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 (7 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-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CYP2D6 188/4885CYP1A2 89/4885CYP3A4 570/4885
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS NLN, GLS, PRNP CYP2D6 4210/4885CYP1A2 4053/4885CYP3A4 4118/4885
US-11667620-B2 Composition, film, film-forming method and patterned substrate-producing method FRG1, RER1, FN1 CYP2D6 3253/4885CYP1A2 568/4885CYP3A4 1046/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 CYP2D6 2705/4885CYP1A2 3488/4885CYP3A4 4238/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 CYP2D6 1238/4885CYP1A2 2631/4885CYP3A4 3863/4885
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 CYP2D6 273/4885CYP1A2 508/4885CYP3A4 143/4885
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CYP2D6 924/4885CYP1A2 453/4885CYP3A4 696/4885

“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.