SCHEMBL2858356

SCHEMBL2858356

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(OC(C)C)cc2)c(C(CC)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.36
PARP10 Q53GL7 1/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
AKR1C1 Q04828 1/20 0.34
PTGS1 P23219 1/20 0.34
FLT3 P36888 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
FFAR1 O14842 1/20 0.34
ADRB2 P07550 1/20 0.33

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
SCHEMBL5493553 0.91 MAPT (0.48) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2871401 0.90 MAPT (0.42) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2856378 0.90 FLT3 (0.44) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2867272 0.89 KDM4E (0.39) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2860150 0.83 KDM4E (0.46) RAB9APOLBKMT2AALDH1A1KDM4E
SCHEMBL2862952 0.83 KDM4E (0.36) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2865481 0.82 KDM4E (0.45) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2858839 0.82 ALDH1A1 (0.38) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL6032268 0.81 MAPT (0.49) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2858288 0.81 FLT3 (0.43) RAB9ASMN1; SMN2NPC1MAPTPOLB

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 RAB9A 1598/4885SMN1; SMN2 4682/4885NPC1 1079/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P RAB9A 1598/4885SMN1; SMN2 4682/4885NPC1 1079/4885

“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.