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SCHEMBL2690004

SCHEMBL2690004

CC(=O)c1ccc(C(C)(C)c2ccc(O)c(C3CCCCC3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.44
▸ NUDT1 P36639 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ACMSD Q8TDX5 2/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ESRRA P11474 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL29623103 0.89 NUDT1 (0.49) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL13609954 0.89 NUDT1 (0.49) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL29368513 0.87 NUDT1 (0.50) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL68186 0.87 NUDT1 (0.50) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL29458615 0.85 ESR1 (0.49) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL2340495 0.85 ESR1 (0.49) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL17354422 0.85 NUDT1 (0.46) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL2309797 0.83 NUDT1 (0.44) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL20717757 0.83 ESR1 (0.50) HSP90AA1NUDT1BACE1ACMSDESR1
SCHEMBL11054583 0.83 HSP90AA1 (0.53) HSP90AA1NUDT1BACE1ACMSDRAB9A

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-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-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

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 HSP90AA1 3651/4885NUDT1 1506/4885BACE1 4775/4885
US-20120108853-A1 METHOD FOR PRODUCING TRISPHENOLS AND MONOESTER-SUBSTITUTED PRODUCTS THEREOF, AND 4-ACYLARALKYLPHENOL DERIVATIVES CYP19A1, MTTP, CYP4X1 HSP90AA1 2531/4885NUDT1 1568/4885BACE1 4476/4885

“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.