SCHEMBL3796237

SCHEMBL3796237

CCCCCCCCc1ccc(C(=O)OCC)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.59
THRB P10828 9/20 0.59
RARB P10826 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
RARA P10276 1/20 0.59
MAPT P10636 1/20 0.59
MTOR P42345 1/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ESR1 P03372 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ESR2 Q92731 1/20 0.56
CA14 Q9ULX7 1/20 0.56
PLA2G1B P04054 3/20 0.55
ATG4B Q9Y4P1 3/20 0.55

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
SCHEMBL12040863 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL6123675 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL11393726 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL6899814 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL6900234 1.00 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL570964 0.98 RARB (0.58) THRATHRBRARBMEN1KMT2A
SCHEMBL11043289 0.95 RARB (0.68) THRATHRBRARBMEN1KMT2A
SCHEMBL4182052 0.95 RARB (0.68) THRATHRBRARBMEN1KMT2A
SCHEMBL570747 0.93 ESR1 (0.59) THRATHRBRARBALDH1A1CA12
SCHEMBL21656965 0.93 THRB (0.52) THRATHRBRARBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-7692187-B2 Organic semiconductor material and organic device using the same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-04-06 US disclosed
US-20070215872-A1 Organic semiconductor material and organic device using the same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY 2007-09-20 US disclosed
US-6007739-A FOR DISPLAY OF A CLOCK, A CALCULATOR, A WORD PROCESSOR, A SMALL TV SET; CAN BE DRIVEN AT A HIGH SPEED AT A LOW VOLTAGE SHARP KABUSHIKI KAISHA (JP) 1999-12-28 US disclosed
EP-0632116-B1 A smectic C liquid crystal composition and a liquid crystal display element CHISSO CORP (JP) 1999-09-08 EP disclosed
US-5658492-A POSITIONING LIQUID CRYSTAL BETWEEN THE PAIR OF INSULATING SUBSTRATE, EACH HAVING AN ELECTRODE, SELECTIVELY IMPRESSING A VOLTAGE ONTO SAID ELECTRODE CHISSO CORPORATION (JP) 1997-08-19 US disclosed
US-5529717-A CONTAINING DIPHENYLTHIADIAZOLE AND ALKOXYPHENYLPYRIDINE COMPOUNDS CHISSO CORPORATION (JP) 1996-06-25 US disclosed
US-4507450-A COORDINATION CATALYSTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-03-26 US disclosed
US-4229558-A HAVING HIGH ISOTACTIC INDEX BY USING A CATALYST PREPARED FROM A MAGNESIUM GRIGNARD REAGENT, TITANIUM HALIDE AN ETHER AND A CARBOXYLIC ESTER COMBINED WITH AN ORGANOALUMINUM COMPOUND MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1980-10-21 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 THRA 468/4885THRB 461/4885RARB 877/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 THRA 468/4885THRB 461/4885RARB 877/4885

“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.