SCHEMBL5646377

SCHEMBL5646377

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.87
LMNA P02545 2/20 0.87
CYP1A2 P05177 2/20 0.87
CYP2D6 P10635 2/20 0.87
CYP2C9 P11712 2/20 0.87
NPSR1 Q6W5P4 2/20 0.87
TSHR P16473 1/20 0.87
NFKB1 P19838 1/20 0.87
AKR1C3 P42330 9/20 0.85
AKR1C2 P52895 8/20 0.85
PTGS2 P35354 4/20 0.78
AKR1C4 P17516 2/20 0.78
AKR1C1 Q04828 2/20 0.78
ABCB1 P08183 2/20 0.78
PTGS1 P23219 2/20 0.78
GLO1 Q04760 2/20 0.78
KDM4E B2RXH2 1/20 0.78
MEN1 O00255 1/20 0.78
PTGES O14684 1/20 0.78
ABCC3 O15438 1/20 0.78

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
SCHEMBL1082631 0.93 HIF1A (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8646699 0.92 HIF1A (0.98) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL8645594 0.92 AKR1C3 (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9
Indomethacin SCHEMBL27521872 0.91 PTGS2 (0.92) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL2600801 0.90 AKR1C3 (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9
Indomethacin SCHEMBL28072579 0.89 PTGS2 (0.98) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL12747878 0.89 AKR1C3 (0.89) HIF1ALMNACYP1A2CYP2D6CYP2C9
Iodoindomethacin SCHEMBL13290295 0.88 AKR1C3 (0.87) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL5796934 0.88 AKR1C3 (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9
Indomethacin SCHEMBL3518614 0.88 PTGS2 (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135495-B2 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-14 US claimed
US-20060194864-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. 2006-08-31 US claimed
US-20050004097-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US claimed
EP-1424335-A1 INDOLE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7135495-B2 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-14 US disclosed
US-20060194864-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. 2006-08-31 US disclosed
US-20050004097-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1424335-A1 INDOLE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 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 (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-20060194864-A1 Indole derivatives IDO1, IDO2, PTGIR HIF1A 535/4885LMNA 4788/4885CYP1A2 1314/4885
US-20050004097-A1 Indole derivatives IDO1, IDO2, PTGIR HIF1A 535/4885LMNA 4788/4885CYP1A2 1314/4885

“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.