SCHEMBL4386988

SCHEMBL4386988

CCOc1cccc(-c2c(OCOC)cc(OCOC)c(C(C)=O)c2CCOC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
CREBBP Q92793 1/20 0.37
PTGS2 P35354 1/20 0.36
CYP2D6 P10635 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC13A5 Q86YT5 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
SCHEMBL4383654 0.92 NPC1 (0.38) MAPTLMNASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4382568 0.88 MAOB (0.46) KDM4EALDH1A1KMT2AGAAMAPK1
SCHEMBL4381699 0.86 EGFR (0.44) MAPTKDM4EALDH1A1KMT2ACYP2C19
SCHEMBL4381785 0.86 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4379802 0.86 KDR (0.36)
SCHEMBL4384151 0.86 EGFR (0.42) LMNASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL4392560 0.83 CREBBP (0.39) CREBBP
SCHEMBL4382339 0.82 RXRA (0.43) MAPTLMNARXRARXRBSMN1; SMN2
SCHEMBL4379882 0.81 ALDH1A1 (0.36) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL4386518 0.81 KDR (0.35) LMNASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P MAPT 2443/4885LMNA 4706/4885RXRA 1665/4885

“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.