SCHEMBL2290856

SCHEMBL2290856

CC(C)Cc1cccc(OCc2ccccc2C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
BCHE P06276 4/20 0.41
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CDK4 P11802 2/20 0.41
CCNB1 P14635 2/20 0.41
CCND1 P24385 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
ERN1 O75460 1/20 0.41
CD274 Q9NZQ7 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL2292237 0.85 SOD1 (0.50) MAOAMAOBNPC1RAB9ABCHE
SCHEMBL2290698 0.85 MAOB (0.44) MAOBRAB9ABCHE
SCHEMBL2292614 0.83 MAOA (0.47) MAOAMAOBNPC1RAB9ABCHE
SCHEMBL2292569 0.81 NPC1 (0.46) MAOAMAOBNPC1RAB9ABCHE
SCHEMBL2289830 0.81 PPARA (0.48) MAOAMAOBNPC1RAB9ABCHE
SCHEMBL2290432 0.81 KMT2A (0.41) NPC1RAB9ACCNB2CDK1CDK4
SCHEMBL2289157 0.81 FFAR4 (0.47) NPC1RAB9ACDK4CCND1CD274
SCHEMBL2290712 0.80 GABRA1 (0.36) NPC1RAB9ACDK4CCND1
SCHEMBL2293337 0.80 MAOB (0.45) MAOBBCHECD274CYSLTR2CYSLTR1
SCHEMBL2287987 0.79 GABRA1 (0.40) NPC1RAB9ACDK4CCND1

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 MAOA 236/4885MAOB 272/4885NPC1 3684/4885

“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.