SCHEMBL17769203

SCHEMBL17769203

COC(=O)c1cc(OCc2ccccc2)c2cc(-c3ccc(C(N)C(=O)OCc4ccccc4)cc3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.41
▸ DHODH Q02127 3/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ GPR39 O43194 1/20 0.36

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
SCHEMBL17769204 0.82 TNKS (0.53) CDK2LMNA
SCHEMBL31389256 0.78 ALOX15 (0.50) DHODHMAPT
SCHEMBL31389266 0.77 ALOX15 (0.55) NOTUMHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL17769171 0.77 LMNA (0.50) NOTUMHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL20877162 0.74 TP53 (0.47) NOTUMHPGDMAPTLMNA
Hydrochloric Acid SCHEMBL5552487 0.72 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1
SCHEMBL2906705 0.72 MAPT (0.49) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6080587 0.71 CYP11B1 (0.51) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL31389265 0.71 MAPT (0.50) MAPTSMN1; SMN2HTTLMNA
SCHEMBL31389296 0.71 ALOX15 (0.52) HPGDKDM4EALDH1A1MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221353-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF Nestec S.A. (CH) 2017-09-27 — — EP disclosed
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

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-20170240652-A1 ANTIBODIES AGAINST SEROTONIN, TRYPTOPHAN AND KYNURENINE METABOLITES AND USES THEREOF TPH1, HTR5A, KYNU CDK2 4599/4885DHODH 702/4885NOTUM 3008/4885

“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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