SCHEMBL2287448

SCHEMBL2287448

Cc1cccc(C)c1OCc1cc(CN(C(C)C)C(C)C)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 8/20 0.37
SCN8A Q9UQD0 3/20 0.37
LMNA P02545 2/20 0.37
SCN1A P35498 2/20 0.37
SCN5A Q14524 2/20 0.37
SCN9A Q15858 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
NFKB1 P19838 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
KCNK3 O14649 1/20 0.37
CACNA1F O60840 1/20 0.37
KCNK2 O95069 1/20 0.37
GBA1 P04062 1/20 0.37
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL2293620 0.85 THRA (0.39) SCN4ASCN8ATSHRSLC6A4THRA
SCHEMBL2294677 0.84 BCHE (0.41) CYP1A2CYP2D6NFKB1TSHRHTR2B
SCHEMBL2293213 0.81 SCN4A (0.35) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL2290430 0.80 THRA (0.40) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL2290297 0.79 THRA (0.40) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL2292751 0.78 THRA (0.40) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL2293554 0.77 THRA (0.39) SCN4ASCN8ALMNASCN1ASCN5A
SCHEMBL2290616 0.76 HDAC1 (0.42) CYP1A2CYP2D6CYP2C9TSHRHDAC1
SCHEMBL2292544 0.74 THRA (0.37) SCN8ATHRATHRBFFAR4NR3C1
SCHEMBL2293789 0.73 ALDH1A1 (0.42) SCN4ASCN8ACYP1A2CYP3A4CYP2D6

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 SCN4A 521/4885SCN8A 1991/4885LMNA 1225/4885

“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.