SCHEMBL2689722

SCHEMBL2689722

CC(=O)c1ccc(C(C)(C)c2ccc(O)c(C)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.69
▸ ESRRG P62508 2/20 0.48
▸ ESR2 Q92731 7/20 0.46
▸ AR P10275 3/20 0.46
▸ ESRRA P11474 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.44
▸ KLF10 Q13118 1/20 0.43
▸ HSD17B1 P14061 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RORC P51449 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
SCHEMBL298974 0.85 ESR1 (0.95) ESR1ESRRGESR2ARKLF10
SCHEMBL29696084 0.85 ESR1 (0.95) ESR1ESRRGESR2ARKLF10
SCHEMBL2688759 0.84 ESR1 (0.46) ESR1ESRRGESR2ARESRRA
SCHEMBL9472225 0.83 HPGD (0.50) ESR1ESRRGESR2ARHSD17B1
SCHEMBL29350788 0.83 ESR1 (1.00) ESR1ESRRGESR2ARKLF10
SCHEMBL29360146 0.83 ESR1 (1.00) ESR1ESRRGESR2ARKLF10
SCHEMBL35285 0.83 ESR1 (1.00) ESR1ESRRGESR2ARKLF10
SCHEMBL11145638 0.81 ESR1 (0.61) ESR1ESRRG
SCHEMBL3290860 0.80 ESR1 (0.77) ESR1ESRRGESR2ARKLF10
SCHEMBL2689876 0.80 ESR1 (0.67) ESR1ESRRGESR2ARHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567281-B2 4-acylaralkylphenols and derivatives thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2017-02-14 — — US disclosed
US-9567281-B2 4-acylaralkylphenols and derivatives thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2017-02-14 — — US disclosed
US-9567281-B2 4-acylaralkylphenols and derivatives thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2017-02-14 — — US disclosed
US-9090547-B2 Method for producing trisphenols and monoester-substituted products thereof, and 4-acylaralkylphenol derivatives HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2015-07-28 — — US disclosed
US-9090547-B2 Method for producing trisphenols and monoester-substituted products thereof, and 4-acylaralkylphenol derivatives HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2015-07-28 — — US disclosed
US-9090547-B2 Method for producing trisphenols and monoester-substituted products thereof, and 4-acylaralkylphenol derivatives HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2015-07-28 — — US disclosed
US-20140221680-A1 4-Acylaralkylphenols and Derivatives Thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-07 — — US disclosed
US-20140221680-A1 4-Acylaralkylphenols and Derivatives Thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-07 — — US disclosed
US-20140221680-A1 4-Acylaralkylphenols and Derivatives Thereof HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-08-07 — — US disclosed
US-20120108853-A1 METHOD FOR PRODUCING TRISPHENOLS AND MONOESTER-SUBSTITUTED PRODUCTS THEREOF, AND 4-ACYLARALKYLPHENOL DERIVATIVES HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-05-03 — — US disclosed
US-20120108853-A1 METHOD FOR PRODUCING TRISPHENOLS AND MONOESTER-SUBSTITUTED PRODUCTS THEREOF, AND 4-ACYLARALKYLPHENOL DERIVATIVES HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-05-03 — — US 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 (2 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-20140221680-A1 4-Acylaralkylphenols and Derivatives Thereof UGT1A7, CYP19A1, UGT2B7 ESR1 311/4885ESRRG 784/4885ESR2 214/4885
US-20120108853-A1 METHOD FOR PRODUCING TRISPHENOLS AND MONOESTER-SUBSTITUTED PRODUCTS THEREOF, AND 4-ACYLARALKYLPHENOL DERIVATIVES CYP19A1, MTTP, CYP4X1 ESR1 588/4885ESRRG 2304/4885ESR2 823/4885

“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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