SCHEMBL3096971

SCHEMBL3096971

[CH2]C(C)(C)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
KIF11 P52732 4/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
PGR P06401 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM3 P20309 1/20 0.36
PNMT P11086 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29441583 0.81 HDAC4 (0.47) CYP19A1KIF11ALDH1A1TSHRSCN5A
SCHEMBL8137247 0.81 ESR1 (0.50) CYP19A1KIF11ALDH1A1TSHRSCN5A
SCHEMBL78619 0.81 HDAC4 (0.47) CYP19A1KIF11ALDH1A1TSHRSCN5A
Formaldehyde SCHEMBL27512785 0.80 HDAC4 (0.47) CYP19A1KIF11ALDH1A1TSHRSCN5A
SCHEMBL6678970 0.79 CYP19A1 (0.45) CYP19A1KIF11ALDH1A1TSHRSCN5A
SCHEMBL6725277 0.79 KIF11 (0.40) CYP19A1KIF11ALDH1A1TSHRSCN5A
SCHEMBL12811806 0.79 ALDH1A1 (0.43) CYP19A1KIF11ALDH1A1TSHRSCN5A
SCHEMBL11469047 0.79 CYP19A1 (0.43) CYP19A1KIF11ALDH1A1TSHRSCN5A
SCHEMBL8633370 0.79 CYP19A1 (0.43) CYP19A1KIF11ALDH1A1TSHRSCN5A
SCHEMBL21791918 0.77 CYP19A1 (0.42) CYP19A1KIF11ALDH1A1TSHRSCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037878-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-09-27 EP claimed
WO-1999026927-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-2024089159-A1 MAIN PROTEASE INHIBITORS UBIQ HOLDING B.V. (NL) 2024-05-02 WO disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed
CN-115698035-A Inhibitors of norovirus and coronavirus replication 共晶制药公司 2023-02-03 CN disclosed
EP-2536716-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-12-26 EP disclosed
EP-2513096-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-A MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 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 (2 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 CYP19A1 3170/4885KIF11 1815/4885ALDH1A1 1895/4885
US-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 CYP19A1 42/4885KIF11 4120/4885ALDH1A1 950/4885

“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.