SCHEMBL2190387

SCHEMBL2190387

CC(Cl)(C(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 2/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 3/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32

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
SCHEMBL12968272 0.79 THRB (0.30) THRB
SCHEMBL4990698 0.78 THRB (0.38) THRBCYP2C9LMNAEPHX1EPHX2
SCHEMBL2194685 0.75 THRB (0.35) THRBCYP2C9LMNAEPHX1EPHX2
SCHEMBL9724273 0.75 THRB (0.39) THRBCYP2C9LMNAEPHX1EPHX2
SCHEMBL10976047 0.75 THRB (0.39) THRBCYP2C9LMNAEPHX1EPHX2
Acetic Acid SCHEMBL700515 0.74 THRB (0.42) THRBCYP2C9LMNAEPHX1EPHX2
SCHEMBL4985264 0.74 LMNA (0.37) LMNAEPHX1EPHX2ALDH1A1HTT
SCHEMBL6865794 0.73 THRB (0.40) THRBCYP2C9EPHX1EPHX2ALDH1A1
SCHEMBL19454869 0.72 GRIN2D (0.36) THRBLMNA
SCHEMBL3294818 0.72 GLA (0.41) EPHX1EPHX2ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-8043789-B2 Photosensitive compound and photoresist composition including the same DONGJIN SEMICHEM CO., LTD. (KR) 2011-10-25 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 US disclosed
US-20090155714-A1 PHOTOSENSITIVE COMPOUND AND PHOTORESIST COMPOSITION INCLUDING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2009-06-18 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 (3 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-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AHR, PAH, ALK THRB 524/4885CYP2C9 137/4885LMNA 3411/4885
US-20090155714-A1 PHOTOSENSITIVE COMPOUND AND PHOTORESIST COMPOSITION INCLUDING THE SAME CRY1, CRY2, PPOX THRB 4654/4885CYP2C9 413/4885LMNA 4703/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT THRB 2189/4885CYP2C9 1163/4885LMNA 3268/4885

“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.