SCHEMBL21939689

SCHEMBL21939689

Cc1ccc2ccccc2c1CNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.52
▸ NQO2 P16083 1/20 0.48
▸ CYP1A2 P05177 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ NCEH1 Q6PIU2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ACACB O00763 1/20 0.41

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
SCHEMBL21878605 0.82 KMT2A (0.54) CYP1A2KMT2AMEN1GAAALDH1A1
SCHEMBL14498012 0.78 KDM4A (0.49) KDM4ACYP1A2KMT2AMEN1NAMPT
SCHEMBL20558403 0.78 KDM4A (0.43) KDM4ANQO2NAMPTCTSSCTSK
SCHEMBL7348110 0.77 KDM4A (0.49) KDM4ANQO2CYP1A2KMT2AMEN1
SCHEMBL29227181 0.77 LMNA (0.64) KDM4AKMT2AMEN1GAAALDH1A1
SCHEMBL29845523 0.76 NQO2 (0.56) KDM4ANQO2NAMPTCTSSCTSK
SCHEMBL21481996 0.76 KDM4A (0.44) KDM4ANQO2KMT2AMEN1NAMPT
SCHEMBL18685355 0.76 KDM4A (0.44) KDM4ANQO2NAMPTCTSSCTSK
SCHEMBL19716899 0.76 HDAC1 (0.44) KDM4ANQO2NAMPTALDH1A1
SCHEMBL3838871 0.76 CA12 (0.63) KDM4AKMT2AMEN1NAMPTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 — — US disclosed
CN-110914248-A LXR modulators containing amines or (thio) amides 菲尼克斯-FXR股份有限公司 2020-03-24 — — CN 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 KDM4A 2432/4885NQO2 2965/4885CYP1A2 292/4885

“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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