SCHEMBL17742912

SCHEMBL17742912

CC(C)(C)OC(=O)NCCCCCC(=O)On1nnc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ BRD4 O60885 3/20 0.46
▸ TPSAB1 Q15661 1/20 0.44
▸ TPSD1 Q9BZJ3 1/20 0.44
▸ TPSG1 Q9NRR2 1/20 0.44
▸ BCHE P06276 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ PRKCB P05771 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL12435616 0.84 HPSE (0.45) BRD4KDM4ETDP1
SCHEMBL2217398 0.84 HPSE (0.45) BRD4KDM4ETDP1
SCHEMBL13855987 0.81 BRD4 (0.51) CYP3A4BRD4TPSAB1TPSD1TPSG1
SCHEMBL2217546 0.80 FAAH (0.43) BRD4KDM4ETDP1
SCHEMBL12435588 0.75 FAAH (0.45) BRD4KDM4ENPSR1
SCHEMBL2293707 0.73 FAAH (0.43) BRD4KDM4E
Hydrochloric Acid SCHEMBL21410046 0.71 CYP3A4 (0.48) CYP3A4BRD4TPSAB1TPSD1TPSG1
SCHEMBL16879548 0.71 FAAH (0.40) CYP3A4BRD4BCHEKDM4E
SCHEMBL17763229 0.70 BRD4 (0.55) BRD4BCHEKDM4EDRD2
SCHEMBL2295830 0.70 FAAH (0.43) BRD4KDM4E

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-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2017-08-24 — — US disclosed
WO-2016079708-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF NESTEC S.A. (CH) 2016-05-26 — — WO disclosed
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS NESTEC S.A. (CH) 2016-05-12 — — 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-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF TPH1, HTR5A, KYNU CYP3A4 589/4885BRD4 3112/4885TPSAB1 68/4885
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS FABP2, TPH2, TPH1 CYP3A4 704/4885BRD4 4007/4885TPSAB1 129/4885

“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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