SCHEMBL7063571

SCHEMBL7063571

CCCCOC(=O)NC1(c2ccc(OC)cc2)NC(c2ccccc2)C(C(=O)O)O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
MIF P14174 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 2/20 0.35
PPARG P37231 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4397640 0.82 SIGMAR1 (0.43) SIGMAR1LMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4732903 0.70 CA1 (0.42) SIGMAR1LMNATP53ALDH1A1KDM4E
SCHEMBL8859269 0.69 CYP2D6 (0.37) LMNAALDH1A1KDM4EGAACYP2C19
SCHEMBL7690874 0.68 RAB9A (0.38) SIGMAR1ALDH1A1CYP2C19CYP3A4HIF1A
SCHEMBL16746581 0.67 TSHR (0.44) MIFALDH1A1TDP1CYP3A4CYP2D6
SCHEMBL16109798 0.67 L3MBTL1 (0.40) SIGMAR1MIFLMNAALDH1A1KDM4E
SCHEMBL2339023 0.66 PPARG (0.40) LMNATP53ALDH1A1TDP1CYP3A4
SCHEMBL14967701 0.66 SIGMAR1 (0.42) SIGMAR1MIFLMNAALDH1A1KDM4E
SCHEMBL16109506 0.65 PPARG (0.44) MIFLMNATP53ALDH1A1CYP1A2
SCHEMBL6376600 0.64 PPARG (0.48) LMNATP53ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083497-A1 Taxoids, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA, S.A. 2003-05-01 US disclosed
US-6384071-B2 ANTITUMOR AGENTS AVENTIS PHARMA, S.A. (FR) 2002-05-07 US disclosed
US-20010021783-A1 New taxoids, their preparation and pharmaceutical compositions containing them Rhône-Poulenc Rorer S.A. 2001-09-13 US disclosed
US-6194582-B1 MULTI-DRUG RESISTANCE RHONE-POULENC RORER S.A. (FR) 2001-02-27 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-20030083497-A1 Taxoids, their preparation and pharmaceutical compositions containing them TBXA2R, CBR1, CBR3 SIGMAR1 926/4885MIF 4453/4885LMNA 3662/4885
US-20010021783-A1 New taxoids, their preparation and pharmaceutical compositions containing them CBR1, TBXA2R, CBR3 SIGMAR1 666/4885MIF 4325/4885LMNA 3574/4885

“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.