SCHEMBL818757

SCHEMBL818757

CC(C)(C)Cc1c(-c2ccc(S(=O)(=O)O)cc2)ccc(S(=O)(=O)O)c1CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
NT5E P21589 1/20 0.38
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
PTGS2 P35354 2/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30
CYP2D6 P10635 1/20 0.30
ENPP2 Q13822 1/20 0.30
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL11100709 0.71 ESR1 (0.54) ALDH1A1TSHRNT5ELMNASMN1; SMN2
SCHEMBL819316 0.70 TTR (0.38) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL818756 0.69 ALDH1A1 (0.39) ALDH1A1TSHRNT5ELMNASMN1; SMN2
SCHEMBL7572634 0.68 ALDH1A1 (0.57) ALDH1A1TSHRNT5ELMNATDP1
SCHEMBL25385935 0.68 ALDH1A1 (0.53) ALDH1A1TSHRNT5ELMNASMN1; SMN2
SCHEMBL29509113 0.67 LMNA (0.50) ALDH1A1TSHRNT5ELMNASMN1; SMN2
SCHEMBL5320291 0.66 TSHR (0.52) ALDH1A1TSHRNT5ELMNASMN1; SMN2
SCHEMBL13726094 0.66 TSHR (0.47) ALDH1A1TSHRNT5ELMNASMN1; SMN2
SCHEMBL11293217 0.65 LMNA (0.48) ALDH1A1TSHRNT5ELMNASMN1; SMN2
SCHEMBL3171676 0.65 LMNA (0.65) ALDH1A1TSHRNT5ELMNASMN1; SMN2

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-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 ALDH1A1 46/4885TSHR 185/4885NT5E 4382/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 ALDH1A1 1092/4885TSHR 368/4885NT5E 4493/4885

“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.