SCHEMBL6898820

SCHEMBL6898820

CCOC(=O)CC(O)(c1cccc(OC)c1)c1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1B P49286 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.42
PPARG P37231 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.41
MTNR1A P48039 1/20 0.41
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 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
SCHEMBL17700331 0.89 ALDH1A1 (0.45) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL6896136 0.82 POLB (0.44) SMN1; SMN2LMNA
SCHEMBL11816273 0.81 SMN1; SMN2 (0.42) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL3537531 0.81 CNR1 (0.44) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL31316615 0.80 SMN1; SMN2 (0.41) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL4619371 0.80 SMN1; SMN2 (0.54) ALDH1A1TSHRSMN1; SMN2
SCHEMBL4138316 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL9326581 0.78 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1L3MBTL1
SCHEMBL6767537 0.78 CYP1A2 (0.45) ALDH1A1L3MBTL1SMN1; SMN2MAPTPPARG
SCHEMBL7125526 0.78 KIF11 (0.45) ALDH1A1SMN1; SMN2CES2CES1GAA

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-6703504-B2 HAVING SUBSTANTIAL ORIENTATIONAL RIGIDITY OF AROMATIC RINGS WITH RESPECT TO CENTRAL INDANE MOIETY AND ELECTRON DONATING FUNCTIONALITY WHICH PROMINENTLY ACTIVATES AND ACCELERATES ELECTROPHILIC AROMATIC SUBSTITUTION OF PARENT RINGS Slemon, Clarke (CA) 2004-03-09 US disclosed
US-20030232932-A1 Conformationally constrained compounds as dendrimer cores SLEMON, CLARKE (CA) 2003-12-18 US disclosed
WO-2003064501-A1 CONFORMATIONALLY RESTRICTED COMPOUNDS AS DENDRIMER CORES SLEMON CLARKE (CA) 2003-08-07 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-20030232932-A1 Conformationally constrained compounds as dendrimer cores PCNA, PICALM, CROCC ALDH1A1 4013/4885MAPK1 4235/4885TSHR 4064/4885

“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.