SCHEMBL2689787

SCHEMBL2689787

CCC(=O)c1ccc(Cc2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
ELANE P08246 3/20 0.50
NPC1 O15118 3/20 0.50
MEN1 O00255 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ESR1 P03372 2/20 0.47
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
AR P10275 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL11390053 0.91 ELANE (0.58) KMT2ARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL777803 0.86 ELANE (0.62) KMT2ARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10726589 0.85 MAPT (0.55) KMT2ARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2688206 0.84 KMT2A (0.70) KMT2ARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5630152 0.84 KMT2A (0.60) KMT2ARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13133117 0.83 KMT2A (0.56) KMT2ARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9607439 0.83 KMT2A (0.74) KMT2ARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6251985 0.80 ALDH1A1 (0.57) KMT2ARAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL13410392 0.79 LMNA (0.77) KMT2AMAPTALDH1A1GAAELANE
SCHEMBL684696 0.79 SAE1 (0.59) KMT2ASMN1; SMN2MAPTALDH1A1HTT

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 KMT2A 2968/4885RAB9A 3620/4885SMN1; SMN2 4304/4885
US-20120108853-A1 METHOD FOR PRODUCING TRISPHENOLS AND MONOESTER-SUBSTITUTED PRODUCTS THEREOF, AND 4-ACYLARALKYLPHENOL DERIVATIVES CYP19A1, MTTP, CYP4X1 KMT2A 2276/4885RAB9A 4257/4885SMN1; SMN2 4683/4885

“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.