SCHEMBL7418804

SCHEMBL7418804

CC1(C)OC(=O)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
AVPR1A P37288 1/20 0.35
NPY5R Q15761 1/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1B1 P15121 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL17911548 0.77 SIGMAR1 (0.43) SIGMAR1HTR2AALDH1A1TP53CYP1A2
SCHEMBL12568550 0.73 SIGMAR1 (0.67) SIGMAR1HTR2AALDH1A1TP53NPY5R
SCHEMBL12568549 0.73 SIGMAR1 (0.56) SIGMAR1ALDH1A1NPY5R
SCHEMBL5740020 0.69 HTR2A (0.48) HTR2AALDH1A1TP53CYP1A2AHR
Hydrochloric Acid SCHEMBL6829971 0.69 SIGMAR1 (0.56) SIGMAR1HTR2AAVPR1ANPY5R
SCHEMBL12219039 0.69 SIGMAR1 (0.61) SIGMAR1AVPR1ANPY5R
SCHEMBL14169961 0.68 ADRA2A (0.37) HTR2AALDH1A1MEN1KMT2A
SCHEMBL31322061 0.68 CFTR (0.46) ALDH1A1TP53CYP1A2L3MBTL1MEN1
SCHEMBL11134355 0.68 HDAC4 (0.37) SIGMAR1ALDH1A1TP53CYP1A2L3MBTL1
SCHEMBL29901667 0.68 HTR2A (0.61) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023138612-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-27 WO claimed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
WO-2023138612-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-27 WO disclosed
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO 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-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 SIGMAR1 2251/4885HTR2A 1262/4885ALDH1A1 252/4885

“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.