SCHEMBL2292569

SCHEMBL2292569

CC(C)c1cccc(OCc2ccccc2C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.41
BCHE P06276 1/20 0.40
GRM2 Q14416 1/20 0.40
TYR P14679 1/20 0.39

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
SCHEMBL1539511 0.84 RXRA (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1539549 0.81 MAOB (0.54) NPC1RAB9ACCNB2CDK1CDK4
SCHEMBL2290856 0.81 MAOA (0.46) NPC1RAB9ACCNB2CDK1CDK4
SCHEMBL13183547 0.80 CCNB2 (0.53) KDM4ETSHRCCNB2CDK1CDK4
SCHEMBL13160061 0.80 KDM4E (0.49) KDM4ETSHRCCNB2CDK1CDK4
SCHEMBL2292237 0.79 SOD1 (0.50) NPC1RAB9AKDM4ETSHRCCNB2
SCHEMBL1200712 0.78 SMN1; SMN2 (0.50) NPC1RAB9AKDM4ECDK4CCND1
SCHEMBL1539489 0.78 TYR (0.40) NPC1RAB9AKDM4ECDK4CCND1
SCHEMBL2290196 0.78 TYR (0.40) NPC1RAB9ATSHRCDK4CCND1
SCHEMBL7171456 0.78 NPC1 (0.49) NPC1RAB9ACCNB2CDK1CDK4

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-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 NPC1 3684/4885RAB9A 3843/4885KDM4E 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.