SCHEMBL487915

SCHEMBL487915

C=C(C)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTGER1 P34995 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL383508 0.84 FOLH1 (0.60) FOLH1KDM4EHPGDSMN1; SMN2PTGER1
SCHEMBL2341192 0.80 HPGD (0.49) KDM4EHPGDLMNASMN1; SMN2NPC1
SCHEMBL2343079 0.79 MAOB (0.59) KDM4EHPGDLMNASMN1; SMN2NPC1
SCHEMBL4308031 0.78 MEN1 (0.65) FOLH1KDM4EHPGDLMNAMEN1
SCHEMBL793724 0.78 MEN1 (0.65) KDM4EHPGDLMNASMN1; SMN2PTGER1
SCHEMBL382550 0.78 FOLH1 (0.56) FOLH1KDM4ESMN1; SMN2PTGER1MEN1
SCHEMBL5839199 0.78 FOLH1 (0.56) FOLH1KDM4ESMN1; SMN2PTGER1MCL1
SCHEMBL14660694 0.77 MEN1 (0.63) KDM4EHPGDLMNASMN1; SMN2PTGER1
Hydrochloric Acid SCHEMBL514496 0.77 MEN1 (0.63) KDM4EHPGDLMNASMN1; SMN2PTGER1
SCHEMBL4015321 0.77 FOLH1 (0.55) FOLH1KDM4ESMN1; SMN2PTGER1MEN1

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
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-8816087-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LIMITED (GB) 2014-08-26 US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-7700625-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2010-04-20 US 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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P FOLH1 3899/4885KDM4E 3949/4885HPGD 45/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A FOLH1 4250/4885KDM4E 3095/4885HPGD 1499/4885

“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.