SCHEMBL2860488

SCHEMBL2860488

CCC(C(=O)OC)c1cc(O)cc(O)c1C(=O)c1cccc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
STS P08842 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MTNR1B P49286 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
VNN1 O95497 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL15225595 0.90 AKR1C3 (0.47) TAS1R3TAS1R1STSNPC1RAB9A
SCHEMBL2865476 0.87 CYP3A4 (0.46) HPGDMAPTCYP2D6CYP2C19CYP3A4
SCHEMBL2861398 0.83 NR1H2 (0.44) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2860149 0.83 SYNJ2 (0.51) KDM4EMEN1KMT2AHPGDMAPT
SCHEMBL2861256 0.81 CYP3A4 (0.44) TAS1R3TAS1R1KDM4EESR1ESR2
SCHEMBL4380721 0.81 AKR1C3 (0.44) MTNR1BKDM4EHPGDALDH1A1HSD17B10
SCHEMBL2861765 0.80 NR1H2 (0.41) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL2856271 0.80 TAS1R3 (0.46) TAS1R3TAS1R1RAB9AMEN1KMT2A
SCHEMBL19420477 0.80 CES2 (0.61) STSNPC1RAB9ACES2CES1
SCHEMBL2859068 0.78 NR1H2 (0.40) TAS1R3TAS1R1CES2CES1ESR1

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 7 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 claimed
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 TAS1R3 1237/4885TAS1R1 1025/4885STS 1793/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TAS1R3 1237/4885TAS1R1 1025/4885STS 1793/4885

“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.