SCHEMBL4382000

SCHEMBL4382000

CCC(C(=O)OC)c1cc(O)cc(O)c1-c1ncc(-c2ccccc2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.40
PTPN2 P17706 1/20 0.40
EGFR P00533 1/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 3/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL4380947 0.83 CNR2 (0.42) KDM4EALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL4392458 0.80 KDM4E (0.35) PTPN1PTPN2EGFRRETKDR
SCHEMBL4380721 0.73 AKR1C3 (0.44) KDM4EALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL4386663 0.72 ESR1 (0.47) ALDH1A1HSD17B10GAARAB9ACYP2C9
SCHEMBL4381992 0.71 PTPN1 (0.41) PTPN1PTPN2KDM4EALDH1A1TP53
SCHEMBL4388415 0.67 LMNA (0.44) ALDH1A1TP53SMN1; SMN2NPC1LMNA
SCHEMBL9128636 0.66 ESR1 (0.46) EGFRKDM4EALDH1A1TP53HPGD
SCHEMBL4387624 0.66 PDE4B (0.41) EGFRCYP2C19KMT2AMEN1MAPT
SCHEMBL4379804 0.66 PDE4B (0.41) EGFRCYP2C19KMT2AMEN1MAPT
SCHEMBL9429632 0.66 TSHR (0.52) KDM4EALDH1A1HPGDHSD17B10GAA

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 PTPN1 453/4885PTPN2 825/4885EGFR 624/4885

“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.