SCHEMBL16562214

SCHEMBL16562214

COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.80
▸ CNR1 P21554 1/20 0.80
▸ ALDH1A1 P00352 6/20 0.78
▸ POLB P06746 3/20 0.73
▸ GAA P10253 1/20 0.68
▸ LMNA P02545 2/20 0.66
▸ MAPT P10636 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57

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
SCHEMBL22834241 0.89 CNR1 (1.00) THRBCNR1ALDH1A1POLBGAA
SCHEMBL29615207 0.89 CNR1 (1.00) THRBCNR1ALDH1A1POLBGAA
SCHEMBL12316818 0.87 POLB (0.69) THRBCNR1ALDH1A1POLBGAA
SCHEMBL17919329 0.84 CNR1 (0.79) CNR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL16562213 0.83 CNR1 (0.73) CNR1GAASMN1; SMN2KDM4E
SCHEMBL16562261 0.82 CNR1 (0.80) THRBCNR1ALDH1A1POLBLMNA
SCHEMBL13638083 0.82 GAA (0.74) THRBCNR1ALDH1A1GAALMNA
SCHEMBL14404818 0.82 GAA (0.74) THRBCNR1ALDH1A1GAALMNA
SCHEMBL6378503 0.81 CA1 (0.74) CNR1ALDH1A1GAALMNASMN1; SMN2
SCHEMBL28748530 0.81 GAA (0.72) THRBCNR1ALDH1A1GAALMNA

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-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 — — US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 — — US disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 — — 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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 THRB 3794/4885CNR1 1450/4885ALDH1A1 88/4885

“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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