SCHEMBL2290712

SCHEMBL2290712

CC(C)Cc1cc(CC(C)C)c(OCc2ccccc2C=O)c(CC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2287987 0.89 GABRA1 (0.40) GABRA1GABRB2KMT2ATDP1L3MBTL1
SCHEMBL2289157 0.84 FFAR4 (0.47) GABRA1GABRB2FFAR4KMT2ATDP1
SCHEMBL2290432 0.82 KMT2A (0.41) GABRA1GABRB2FFAR4KMT2ATDP1
SCHEMBL2290698 0.81 MAOB (0.44) FFAR4RAB9A
SCHEMBL2287393 0.80 CDK4 (0.47) FFAR4KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL2296243 0.80 ALDH1A1 (0.39) KMT2ATDP1L3MBTL1ALDH1A1HTT
SCHEMBL2290856 0.80 MAOA (0.46) CDK4CCND1NPC1RAB9A
SCHEMBL2290707 0.79 IDO1 (0.41) GABRA1GABRB2FFAR4ALDH1A1HTT
SCHEMBL548215 0.77 KMT2A (0.48) GABRA1GABRB2KMT2ATDP1ALDH1A1
SCHEMBL2291294 0.77 THRB (0.36) FFAR4KMT2ATDP1L3MBTL1ALDH1A1

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 GABRA1 2003/4885GABRB2 1555/4885FFAR4 3092/4885

“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.