SCHEMBL13799154

SCHEMBL13799154

CNCC(C)c1ccc(OC(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 3/20 0.47
ACACB O00763 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ESR1 P03372 2/20 0.43
CYP3A4 P08684 2/20 0.43
HIF1A Q16665 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ABCB11 O95342 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL11577701 0.83 TDP1 (0.56) TAAR1LMNAMAPTALDH1A1GAA
SCHEMBL5732933 0.82 LMNA (0.46) LMNAMAPTALDH1A1GAAHSP90AA1
SCHEMBL111718 0.81 TSHR (0.60) LMNAMAPTALDH1A1GAAHSP90AA1
Hydrochloric Acid SCHEMBL2457796 0.81 LMNA (0.44) LMNAMAPTALDH1A1GAAHSP90AA1
Hydrochloric Acid SCHEMBL2528523 0.80 LMNA (0.43) LMNAMAPTALDH1A1GAAHSP90AA1
SCHEMBL11234964 0.79 LMNA (0.50) LMNAMAPTALDH1A1GAAHSP90AA1
SCHEMBL24171452 0.78 LMNA (0.48) LMNAMAPTALDH1A1GAAHSP90AA1
SCHEMBL8476326 0.78 FFAR1 (0.53) LMNAMAPTALDH1A1GAAHSP90AA1
SCHEMBL19968620 0.78 ESR1 (0.55) LMNAMAPTALDH1A1TSHRKDM4E
SCHEMBL13784555 0.78 LMNA (0.48) LMNAACACBMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216249-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2017-08-03 US disclosed
US-20160089354-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2016-03-31 US disclosed
US-20140045938-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2014-02-13 US disclosed
US-20090156672-A1 Substituted Phenyl Aziridine Precursor Analogs as Modulators of Steroid Receptor Activities NORTHWESTERN UNIVERSITY (US) 2009-06-18 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 (4 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-20160089354-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Cancer Cell Growth NR5A1, AR, CYP17A1 TAAR1 2173/4885LMNA 4562/4885ACACB 2210/4885
US-20170216249-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NR5A1, AR, CYP17A1 TAAR1 2603/4885LMNA 4589/4885ACACB 2227/4885
US-20140045938-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NR5A1, AR, CYP17A1 TAAR1 2603/4885LMNA 4589/4885ACACB 2227/4885
US-20090156672-A1 Substituted Phenyl Aziridine Precursor Analogs as Modulators of Steroid Receptor Activities NR5A1, AR, NR3C1 TAAR1 1689/4885LMNA 4632/4885ACACB 2833/4885

“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.