SCHEMBL2295181

SCHEMBL2295181

Cc1cccc(C)c1OCc1cc(C(C)(C)C)cc(C(C)(C)C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN4A P35499 7/20 0.33
CYP2D6 P10635 3/20 0.33
LMNA P02545 2/20 0.33
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
NFKB1 P19838 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KCNK3 O14649 1/20 0.33
CACNA1F O60840 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
SCHEMBL2292229 0.83 SCN2A (0.42) SCN2AALDH1A1KDM4ETHRATHRB
SCHEMBL2295170 0.81 SCN2A (0.36) SCN2AALDH1A1KDM4ETHRATHRB
SCHEMBL2291217 0.80 SCN2A (0.39) SCN2AALDH1A1KDM4ESMN1; SMN2SCN4A
SCHEMBL2291848 0.80 THRA (0.38) SCN2AALDH1A1KDM4ETHRATHRB
SCHEMBL2288607 0.80 CYP3A4 (0.40) SCN2AALDH1A1KDM4ETHRATHRB
SCHEMBL2287342 0.79 SCN4A (0.37) SCN2AALDH1A1THRATHRBSMN1; SMN2
SCHEMBL2289705 0.79 ALDH1A1 (0.41) SCN2AALDH1A1THRATHRBSMN1; SMN2
SCHEMBL2292232 0.75 MEN1 (0.37) ALDH1A1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL12894343 0.74 SCN8A (0.46) SCN2AALDH1A1KDM4ESMN1; SMN2SCN4A
SCHEMBL2295515 0.74 MRGPRX4 (0.35) SCN2AALDH1A1KDM4ETHRATHRB

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 4 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
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
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 SCN2A 1208/4885ALDH1A1 83/4885KDM4E 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.