SCHEMBL6878636

SCHEMBL6878636

CCCC[Sn](/C=C/c1ccc(C(=O)O)cc1)(CCCC)CCCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PLA2G4B P0C869 2/20 0.42
MEN1 O00255 1/20 0.42
RARA P10276 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
FBP1 P09467 1/20 0.41
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6878639 1.00 RARB (0.44) RARBTP53TSHRALDH1A1PLA2G4B
SCHEMBL6876258 0.82 ESR1 (0.47) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL9555292 0.81 ABCG2 (0.38) TSHRALDH1A1MAPT
SCHEMBL702726 0.80 EGFR (0.41) TP53MAPTTDP1L3MBTL1
SCHEMBL702727 0.80 EGFR (0.41) TP53MAPTTDP1L3MBTL1
SCHEMBL6965007 0.80 EGFR (0.41) TP53MAPTTDP1L3MBTL1
SCHEMBL17783836 0.77 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL1661860 0.77 NFE2L2 (0.42)
SCHEMBL3175226 0.76 CTDSP1 (0.33) ALDH1A1MAPT
SCHEMBL3175215 0.76 CTDSP1 (0.33) ALDH1A1MAPT

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 RARB 3/4885TP53 194/4885TSHR 742/4885

“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.