SCHEMBL6773355

SCHEMBL6773355

CC(C)(C)C(=O)Oc1ccc(O)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 16/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
NR1I2 O75469 1/20 0.48
CYP2C9 P11712 1/20 0.48
MIF P14174 1/20 0.48
TYR P14679 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
ADRB2 P07550 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
SCHEMBL29072553 0.85 ALDH1A1 (0.44) ELANEALDH1A1LMNANR1I2CYP2C9
SCHEMBL3864856 0.84 ALDH1A1 (0.50) ALDH1A1LMNANR1I2CYP2C9MIF
SCHEMBL19335392 0.84 ELANE (0.53) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL8956337 0.83 ALDH1A1 (0.48) ALDH1A1LMNANR1I2CYP2C9MIF
SCHEMBL18940924 0.81 ALDH1A1 (0.47) ELANEALDH1A1LMNANR1I2CYP2C9
SCHEMBL28531330 0.81 ALDH1A1 (0.47) ALDH1A1LMNANR1I2CYP2C9MIF
SCHEMBL19558304 0.81 ELANE (0.50) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL19335352 0.80 ELANE (0.50) ELANEALDH1A1LMNACYP3A4HIF1A
SCHEMBL6768191 0.80 ALDH1A1 (0.52) ELANEALDH1A1HTTHSD17B10GAA
SCHEMBL11807412 0.80 ALDH1A1 (0.46) ELANEALDH1A1LMNANR1I2CYP2C9

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-6686389-B2 KIDNEY DISEASE, ORGAN TRANSPLANT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20020156296-A1 2,3-dihydrobenzofuran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-10-24 US disclosed
US-6403639-B1 POTENT CYTOPROTECTIVE AGENT WHICH INHIBITS LIPID-PEROXIDATION FOR PREVENTION AND TREATMENT OF VARIOUS RENAL DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-06-11 US disclosed
EP-0995437-A1 2,3-DIHYDROBENZOFURAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-04-26 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-20020156296-A1 2,3-dihydrobenzofuran derivatives CBR1, CYP2F1, NDUFAF2 ELANE 1395/4885ALDH1A1 7/4885LMNA 2994/4885

“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.