SCHEMBL6437046

SCHEMBL6437046

COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.81
HIF1A Q16665 2/20 0.81
LMNA P02545 2/20 0.81
CYP1A2 P05177 2/20 0.81
CYP3A4 P08684 2/20 0.81
CYP2C9 P11712 2/20 0.81
TSHR P16473 2/20 0.81
CYP2C19 P33261 2/20 0.81
PMP22 Q01453 2/20 0.81
MEN1 O00255 1/20 0.81
RGS12 O14924 1/20 0.81
ALDH1A1 P00352 1/20 0.81
MAPT P10636 1/20 0.81
NFKB1 P19838 1/20 0.81
MAPK1 P28482 1/20 0.81
GNAI1 P63096 1/20 0.81
KMT2A Q03164 1/20 0.81
PTGS2 P35354 5/20 0.71
HTR1A P08908 1/20 0.71
PTGS1 P23219 1/20 0.71

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
SCHEMBL8292280 0.91 LMNA (0.78) PKMHIF1ALMNACYP1A2CYP3A4
SCHEMBL8647358 0.90 LMNA (0.77) PKMHIF1ALMNACYP1A2CYP3A4
SCHEMBL1322507 0.90 LMNA (1.00) PKMHIF1ALMNACYP1A2CYP3A4
SCHEMBL8296317 0.85 LMNA (0.69) PKMHIF1ALMNACYP1A2CYP3A4
SCHEMBL6900389 0.85 PTGS2 (0.75) PKMHIF1ALMNACYP1A2CYP3A4
SCHEMBL14446495 0.84 LMNA (0.89) PKMHIF1ALMNACYP1A2CYP3A4
SCHEMBL7962081 0.83 PLA2G2A (0.80) PKMHIF1ALMNACYP1A2CYP3A4
Acemetacin SCHEMBL23843 0.83 PTGS2 (1.00) PKMHIF1ALMNACYP1A2CYP2C9
Acemetacin SCHEMBL29402955 0.83 PTGS2 (1.00) PKMHIF1ALMNACYP1A2CYP2C9
SCHEMBL8296825 0.82 LMNA (0.66) PKMHIF1ALMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO claimed
EP-1501837-A1 CASCADE ESTERS OF CAMPTOTHECINS AND METHODS OF TREATING CANCER USING THESE COMPOUNDS THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 2005-02-02 EP disclosed
US-6699875-B2 Cascade esters of camptothecins and methods of treating cancer using these compounds THE STEHLIN FOUNDATION FOR CANCER RESEARCH 2004-03-02 US disclosed
US-20030216421-A1 Cascade esters of camptothecins and methods of treating cancer using these compounds GIOVANELLA, BEPPINO 2003-11-20 US disclosed
WO-2003095460-A1 CASCADE ESTERS OF CAMPTOTHECINS AND METHODS OF TREATING CANCER USING THESE COMPOUNDS THE STEHLIN FOUNDATION FOR CANCER RESEARCH (US) 2003-11-20 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-20030216421-A1 Cascade esters of camptothecins and methods of treating cancer using these compounds CREB1, ATF4, PRKAR2B PKM 1901/4885HIF1A 1053/4885LMNA 980/4885

“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.