SCHEMBL3921867

SCHEMBL3921867

COc1ccc(-c2cc(C=O)ccc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ CYP2A6 P11509 1/20 0.56
▸ TRIM24 O15164 2/20 0.56
▸ TRIM33 Q9UPN9 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ ALDH5A1 P51649 1/20 0.56
▸ ABAT P80404 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ERN1 O75460 2/20 0.51
▸ AOX1 Q06278 1/20 0.51
▸ NQO2 P16083 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ PELI1 Q96FA3 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ TYR P14679 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 2/20 0.45

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
SCHEMBL28990849 0.83 CNR2 (0.64) ALDH1A1HPGDNQO2RELAPELI1
SCHEMBL3920869 0.82 ALDH1A1 (0.58) ALDH1A1CYP2A6TRIM24TRIM33HPGD
SCHEMBL29541984 0.81 KMT2A (0.61) ALDH1A1HPGDTDP1RELAKDM4E
SCHEMBL3925842 0.81 ALDH1A1 (0.56) ALDH1A1CYP2A6TDP1RELANFE2L2
SCHEMBL3921828 0.79 ALDH1A1 (0.55) ALDH1A1CYP2A6TRIM24TRIM33HPGD
SCHEMBL10579363 0.78 ESR2 (0.60) RELAKDM4ERAB9AGAAGFER
SCHEMBL15329599 0.78 KDM4E (0.52) ALDH1A1TRIM24TRIM33HPGDALDH5A1
SCHEMBL31194720 0.78 PELI1 (0.62) ALDH1A1CYP2A6TRIM24TRIM33HPGD
SCHEMBL9763217 0.78 PELI1 (0.62) ALDH1A1CYP2A6TRIM24TRIM33HPGD
SCHEMBL11078733 0.78 ESR2 (0.61) ALDH1A1HPGDKDM4ERAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524873-B2 Substituted N-phenylmethyl ethanamines; N-((6-(methyloxy)-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl)methyl)-1-(1-naphthalenyl)ethanamine; parathyroid hormone inhibitors; antisecretory agents; osteoporosis AMGEN INC. (US) 2009-04-28 — — US disclosed
US-20070142381-A1 Calcium receptor modulating agents AMGEN INC. 2007-06-21 — — US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 — — US disclosed
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. 2005-06-30 — — US disclosed
US-6908935-B2 Calcium receptor modulating agents AMGEN INC. (US) 2005-06-21 — — US disclosed
EP-1509497-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES Amgen Inc. (US) 2005-03-02 — — EP disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 — — US disclosed
WO-2003099776-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES AMGEN INC. (US) 2003-12-04 — — 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 (3 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-20040082625-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR ALDH1A1 4611/4885CYP2A6 3339/4885TRIM24 2772/4885
US-20070142381-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR ALDH1A1 4712/4885CYP2A6 3419/4885TRIM24 3066/4885
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion PTH1R, PTMS, SOST ALDH1A1 4417/4885CYP2A6 2842/4885TRIM24 2073/4885

“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.

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