SCHEMBL6876533

SCHEMBL6876533

CC1(C)CC(C=O)C(=O)c2cc(Br)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.34
S100A4 P26447 1/20 0.33
CYP19A1 P11511 1/20 0.33
PBRM1 Q86U86 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP2 O95551 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL6814457 0.80 PBRM1 (0.39) PDE4BS100A4CYP19A1PBRM1TDP1
SCHEMBL27795752 0.77 KDM1A (0.34) MEN1KMT2AALDH1A1CMA1AHR
SCHEMBL6280501 0.73 BACE1 (0.33) PDE4BS100A4CYP19A1PBRM1TDP1
SCHEMBL6878453 0.70 ESR2 (0.43) PDE4BS100A4CYP19A1PBRM1TDP1
SCHEMBL484599 0.69 PDE4B (0.46) PDE4BS100A4PBRM1TDP1L3MBTL1
SCHEMBL27486590 0.69 ALDH1A1 (0.37) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL31649883 0.68 TDP2 (0.39) L3MBTL1TDP2MEN1KMT2AALDH1A1
SCHEMBL445935 0.67 MALT1 (0.41) PDE4BS100A4PBRM1TDP1L3MBTL1
SCHEMBL30279114 0.67 MALT1 (0.41) PDE4BS100A4PBRM1TDP1L3MBTL1
SCHEMBL21332980 0.66 PARP10 (0.50) PDE4BS100A4TDP1L3MBTL1TDP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825233-B2 SUBSTITUTED BONZOIC ACID DERIVATIVES, USEFUL FOR PREVENTING AND/OR TREATING TUMORS, ARTHRITIS, AND NON-MALIGNANT SKIN DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-30 US disclosed
US-20020193421-A1 Compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY 2002-12-19 US disclosed
WO-2002065984-A2 COMPOUNDS HAVING RETINOID-LIKE ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-29 WO 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-20020193421-A1 Compounds having retinoid-like activity RARA, RARG, RARB PDE4B 2332/4885S100A4 805/4885CYP19A1 90/4885

“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.