SCHEMBL6915210

SCHEMBL6915210

Nc1ccc(C=C(CCC(=Cc2ccc(N)cc2)C(=O)O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
GRIK1 P39086 1/20 0.46
DPEP1 P16444 1/20 0.46
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RECQL P46063 1/20 0.38
APP P05067 1/20 0.38
TP53 P04637 1/20 0.37
TBXAS1 P24557 2/20 0.37
CYP1B1 Q16678 1/20 0.37
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
ALOX5 P09917 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
SCHEMBL27419561 0.89 GRIK1 (0.45) CYP3A4CYP2C9GRIK1DPEP1CYP19A1
SCHEMBL11791657 0.85 LMNA (0.49) CYP3A4CYP2C9GRIK1DPEP1MAPT
SCHEMBL1174445 0.85 TBXAS1 (0.51) CYP3A4CYP2C9GRIK1DPEP1MAOA
SCHEMBL10638498 0.85 TBXAS1 (0.51) CYP3A4CYP2C9GRIK1DPEP1MAOA
SCHEMBL11523193 0.78 F2RL1 (0.49) CYP3A4CYP19A1MAOATP53MAPT
SCHEMBL10906983 0.78 GRIK1 (0.52) CYP3A4CYP2C9GRIK1DPEP1RECQL
SCHEMBL1857361 0.77 TP53 (0.61) CYP19A1MAOAMAOBAPPTP53
SCHEMBL28079193 0.77 GRIK1 (0.48) CYP3A4CYP2C9GRIK1DPEP1MAOA
SCHEMBL3793616 0.76 CYP3A4 (0.61) CYP3A4CYP2C9RECQLTP53MEN1
SCHEMBL11648495 0.76 TSHR (0.47) MAOBTP53MAPTRAB9AKMT2A

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-6689899-B2 HYDROGENATION OF THE CORRESPONDING DINITRO COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-10 US disclosed
US-20020019558-A1 Diamine and acid anhydride KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-02-14 US disclosed
US-6303742-B1 CHARACTERIZED BY A CINNAMOYL GROUP OR A DERIVED CINNAMOYL GROUP INCORPORATED THEREIN AND BY PHOTO-REACTIVITY AND HEAT-REACTIVITY WHICH ARE INHERENT IN THE CINNAMOYL GROUP. KANEKAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-10-16 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 (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-20020019558-A1 Diamine and acid anhydride CA1, ASIC1, CA4 CYP3A4 3486/4885CYP2C9 2353/4885GRIK1 803/4885

“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.