SCHEMBL6567935

SCHEMBL6567935

CCC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.54
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDR P35968 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TLR3 O15455 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6568015 0.91 MAPT (0.48) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL28834633 0.88 CYP19A1 (0.56) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL6566656 0.87 CYP19A1 (0.56) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL6564473 0.87 CYP19A1 (0.56) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL6564609 0.87 MAPT (0.48) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL28101471 0.86 CYP19A1 (0.55) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL28216463 0.85 CYP19A1 (0.57) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL6566711 0.85 CYP19A1 (0.46) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL28101489 0.81 CYP19A1 (0.59) CYP19A1MAPTLMNARAB9ANPC1
SCHEMBL30354920 0.80 CYP19A1 (0.62) CYP19A1MAPTLMNARAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CYP19A1 611/4885MAPT 4743/4885LMNA 4043/4885

“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.