SCHEMBL2861679

SCHEMBL2861679

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC)cc2)c(CC(=O)N(CCOC)CCN2CCOCC2)c1CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CNR2 P34972 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL2865525 0.96 KDM4E (0.39) ALDH1A1CYP1A2CYP3A4TP53TSHR
SCHEMBL2862966 0.93 CNR1 (0.40) CNR1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL2860112 0.93 SMN1; SMN2 (0.38) ALDH1A1KMT2A
SCHEMBL2860123 0.88 LMNA (0.42) ALDH1A1TSHRMEN1CYP2D6CYP2C9
SCHEMBL2854727 0.88 LMNA (0.45) TDP1TSHRMEN1CYP2D6CYP2C9
SCHEMBL2859770 0.86 LMNA (0.40) ALDH1A1TSHRMEN1CYP2D6CYP2C9
SCHEMBL2854550 0.86 SLC5A7 (0.40) ALDH1A1TSHRMEN1CYP2D6CYP2C9
SCHEMBL2858968 0.85 KMT2A (0.43) ALDH1A1TSHRMEN1CYP2D6CYP2C9
SCHEMBL2854652 0.85 MCHR1 (0.36) ALDH1A1CYP1A2CYP3A4MEN1CYP2D6
SCHEMBL2866295 0.85 KDM4E (0.36) ALDH1A1MEN1KMT2A

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 CNR1 1349/4885TDP1 2886/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CNR1 1349/4885TDP1 2886/4885ALDH1A1 2940/4885

“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.