SCHEMBL2692877

SCHEMBL2692877

CC(=O)Oc1ccc(-c2ccccc2C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.56
PPARG P37231 1/20 0.56
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ELANE P08246 2/20 0.49
BACE1 P56817 4/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7600290 0.90 PPARA (0.59) PPARAPPARGCA12CA1CA2
SCHEMBL7600285 0.89 PPARA (0.57) PPARAPPARGCA12CA1CA2
SCHEMBL7602715 0.86 PPARA (0.58) PPARAPPARGCA12CA1CA2
SCHEMBL4185139 0.84 GAPDH (0.49) ELANEBACE1HSD17B10MAPTGAA
Acetic Acid SCHEMBL9578985 0.79 CA12 (0.54) PPARAPPARGCA12CA1CA2
SCHEMBL1551128 0.78 LMNA (0.55) PPARAPPARGCA12CA1CA2
SCHEMBL9788610 0.78 BACE1 (0.56) ELANEBACE1HSD17B10MAPTGAA
SCHEMBL12172262 0.78 MAPT (0.55) PPARAPPARGCA12CA1CA2
SCHEMBL13913541 0.78 ABL1 (0.56) PPARAPPARGCA12CA1CA2
SCHEMBL3785193 0.77 ELANE (0.51) ELANEBACE1HSD17B10MAPTGAA

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 7 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
EP-0269321-B1 LIQUID CRYSTAL COPOLYESTERS HAVING A BLOCKED TERMINAL OF ITS MOLECULAR CHAIN POLYPLASTICS CO. LTD. (JP) 1992-08-12 EP disclosed
US-4904752-A Liquid crystal copolyester having blocked molecular chain terminal POLYPLASTICS CO., LTD. (JP) 1990-02-27 US disclosed
EP-0269321-A2 Liquid crystal copolyesters having a blocked terminal of its molecular chain POLYPLASTICS CO. LTD. (JP) 1988-06-01 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 (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 PPARA 132/4885PPARG 110/4885CA12 4159/4885
US-20120108853-A1 METHOD FOR PRODUCING TRISPHENOLS AND MONOESTER-SUBSTITUTED PRODUCTS THEREOF, AND 4-ACYLARALKYLPHENOL DERIVATIVES CYP19A1, MTTP, CYP4X1 PPARA 580/4885PPARG 283/4885CA12 2593/4885

“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.