SCHEMBL21937868

SCHEMBL21937868

COCCOc1cccc(C(C)Cc2ccnc(C(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NR3C2 P08235 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ROCK1 Q13464 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ PRKX P51817 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ PRKCD Q05655 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
SCHEMBL19227962 0.78 NR3C2 (0.56) NR3C2TAAR1ALDH1A1
SCHEMBL10224193 0.76 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL20715700 0.74 KDM4E (0.46) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL20694181 0.73 NR3C2 (0.42) KDM4ENR3C2ALDH1A1LMNASMN1; SMN2
SCHEMBL24233057 0.72 KDM4E (0.57) KDM4ETSHRTAAR1ALDH1A1LMNA
SCHEMBL22844051 0.72 NR3C2 (0.43) NR3C2CDK2
SCHEMBL10223980 0.70 TAAR1 (0.51) KDM4ETSHRTAAR1ALDH1A1SMN1; SMN2
SCHEMBL27718989 0.70 KDM4E (0.48) KDM4ETSHRTAAR1ALDH1A1LMNA
SCHEMBL19399824 0.69 ALDH1A1 (0.48) KDM4ETAAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL10224231 0.69 KDM4E (0.60) KDM4ETSHRALDH1A1LMNASMN1; SMN2

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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 — — 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL KDM4E 3249/4885TSHR 2320/4885NR3C2 2262/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL KDM4E 3249/4885TSHR 2320/4885NR3C2 2262/4885

“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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