SCHEMBL16191696

SCHEMBL16191696

CC/C=C/c1cc(OC)cc(O)c1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.58
▸ CYP3A4 P08684 5/20 0.55
▸ HPGD P15428 2/20 0.55
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 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
SCHEMBL16191700 1.00 FLT3 (0.58) FLT3CYP3A4HPGDPOLBGAA
SCHEMBL16191441 0.86 FLT3 (0.47) FLT3CYP3A4HPGDCYP2C19CYP2D6
SCHEMBL16191443 0.86 FLT3 (0.47) FLT3CYP3A4HPGDCYP2C19CYP2D6
SCHEMBL28672295 0.84 FLT3 (0.52) FLT3CYP3A4HPGD
SCHEMBL28672294 0.84 FLT3 (0.52) FLT3CYP3A4HPGD
SCHEMBL16191521 0.82 FLT3 (0.52) FLT3CYP3A4HPGDNFKB1NFKB2
SCHEMBL30358568 0.80 TDP1 (0.51) FLT3CYP3A4HPGDGAANFKB1
SCHEMBL28656810 0.80 TDP1 (0.51) FLT3CYP3A4HPGDGAANFKB1
SCHEMBL16191618 0.80 TDP1 (0.51) FLT3CYP3A4HPGDGAANFKB1
SCHEMBL28670143 0.79 NFKB1 (0.56) FLT3CYP3A4HPGDGAANFKB1

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-9359298-B2 Cajanine structure analogous compound, preparation method and use INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-06-07 — — US disclosed
US-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-12-18 — — US disclosed
EP-2796442-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2014-10-29 — — EP 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-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE ACHE, GAP43, LNPK FLT3 4791/4885CYP3A4 803/4885HPGD 3567/4885

“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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