SCHEMBL6310241

SCHEMBL6310241

c1cc2c(c(OC[C@@H]3CO3)c1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GLA P06280 1/20 0.51
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 8/20 0.40
HTR2B P41595 5/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HRH1 P35367 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR3A P46098 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR2C P28335 5/20 0.38

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
SCHEMBL6310248 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL11195006 0.85 ALDH1A1 (0.49) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL11195013 0.80 ALDH1A1 (0.53) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL11133349 0.78 ALDH1A1 (0.48) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL18922746 0.78 HTR2C (0.50) ALDH1A1TSHRSMN1; SMN2TDP1HTR2A
SCHEMBL9311184 0.76 ALDH1A1 (0.56) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL28238350 0.76 MTNR1B (0.40) CYP3A4HTR2AMTNR1AMTNR1B
SCHEMBL28238352 0.76 MTNR1B (0.40) CYP3A4HTR2AMTNR1AMTNR1B
SCHEMBL9536348 0.75 ALDH1A1 (0.54) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL30974571 0.75 ALDH1A1 (0.54) ALDH1A1GLATP53TSHRHIF1A

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
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
EP-1246822-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 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-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F ALDH1A1 90/4885GLA 1198/4885TP53 4637/4885

“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.