SCHEMBL2855866

SCHEMBL2855866

COCOc1cc(OCOC)c(C(=O)c2ccc(OC)cc2)c(CC(=O)O)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C3 P42330 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39

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
SCHEMBL2859821 0.90 AKR1C3 (0.41) MAPTALDH1A1AKR1C2AKR1C3GAA
SCHEMBL2868910 0.86 MAPT (0.43) MAPTALDH1A1AKR1C2AKR1C3GAA
SCHEMBL2859896 0.76 EGFR (0.39) MAPTGAAHSD17B10HTT
SCHEMBL2859155 0.76 MAPT (0.42) MAPTALDH1A1AKR1C2AKR1C3GAA
SCHEMBL2860174 0.76 FLT3 (0.43) MAPTALDH1A1AKR1C2AKR1C3GAA
SCHEMBL2864802 0.74 ALDH1A1 (0.40) MAPTALDH1A1GAANPC1TUBB4A
SCHEMBL2856371 0.72 KDM4E (0.45) MAPTALDH1A1AKR1C2AKR1C3GAA
SCHEMBL2855869 0.71 NPC1 (0.41) MAPTALDH1A1GAANPC1TUBB4A
SCHEMBL2859363 0.71 NPC1 (0.43) MAPTALDH1A1AKR1C3GAAHSD17B10
SCHEMBL5579455 0.70 MAPT (0.59) MAPTALDH1A1GAANPC1TUBB4A

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-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885ALDH1A1 2940/4885AKR1C2 1145/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885ALDH1A1 2940/4885AKR1C2 1145/4885

“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.