SCHEMBL5835202

SCHEMBL5835202

C1CCC(c2nnnn2C2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL6110950 0.85 TSHR (0.39) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL22541489 0.77 ALDH1A1 (0.39) TSHRALDH1A1MAPTTP53MEN1
SCHEMBL17001822 0.76 GAA (0.37) TSHRALDH1A1MAPTTP53MEN1
SCHEMBL16426472 0.73 TSHR (0.53) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL20816364 0.73 NPSR1 (0.39) TSHRALDH1A1MAPTTP53RAB9A
SCHEMBL16362466 0.73 GAA (0.38) TSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL20816366 0.73 TSHR (0.53) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL20816376 0.73 RORC (0.35) TSHRALDH1A1MAPTTP53RAB9A
SCHEMBL1013139 0.73 TSHR (0.53) TSHRALDH1A1MAPTTP53L3MBTL1
SCHEMBL13997161 0.72 L3MBTL1 (0.59) TSHRALDH1A1MAPTTP53L3MBTL1

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-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US claimed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US claimed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP claimed
US-20190085208-A1 POLISHING COMPOSITION, METHOD FOR PRODUCING SAME, POLISHING METHOD, AND METHOD FOR PRODUCING SUBSTRATE FUJIMI INCORPORATED (JP) 2019-03-21 US disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 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 (1 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-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 TSHR 1588/4885ALDH1A1 1565/4885MAPT 4470/4885

“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.