SCHEMBL5501394

SCHEMBL5501394

CC(=O)Oc1ccc(C)c2c1C(C)=CC(C)(C)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.40
▸ PIM1 P11309 1/20 0.37
▸ PTPN1 P18031 2/20 0.35
▸ ELANE P08246 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PGR P06401 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ NR3C1 P04150 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ G6PD P11413 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CFD P00746 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
SCHEMBL5504997 0.85 ELANE (0.37) ELANEKDM4EHTTALDH1A1PGR
SCHEMBL5498846 0.70 PGR (0.43) KDM4EALDH1A1KMT2APGRMAPT
SCHEMBL5495799 0.66 NR3C1 (0.41) ACHEPTPN1ALDH1A1RAB9AKMT2A
SCHEMBL16236880 0.64 TSHR (0.47) ACHEPIM1PTPN1KDM4EALDH1A1
SCHEMBL12559628 0.64 GBA1 (0.42) ACHEPIM1PTPN1ELANEKDM4E
SCHEMBL6269458 0.63 PTPN1 (0.57) ACHEPIM1PTPN1KDM4EHTT
SCHEMBL14406411 0.63 MAPT (0.66) KDM4EHTTALDH1A1GAAKMT2A
SCHEMBL16236511 0.63 PIM1 (0.58) ACHEPIM1PTPN1ELANEKDM4E
SCHEMBL16237634 0.63 PTPN1 (0.46) ACHEPIM1PTPN1ELANEKDM4E
SCHEMBL7565582 0.62 PTPN1 (0.51) ACHEPIM1PTPN1ELANEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 ACHE 3984/4885PIM1 1477/4885PTPN1 1182/4885

“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.

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