SCHEMBL2255296

SCHEMBL2255296

CCOc1c2ccccc2[c]c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LTA4H P09960 1/20 0.36
NQO1 P15559 1/20 0.36
MPO P05164 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 1/20 0.34
PTGER4 P35408 2/20 0.33
SLC2A1 P11166 2/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL7430051 0.85 MPO (0.35) ALDH1A1LTA4HNQO1MPOMAPT
SCHEMBL2255703 0.82 LTA4H (0.43) ALDH1A1LTA4HMAPTKDM4EMAPK1
SCHEMBL51657 0.82 ALDH1A1 (0.50) ALDH1A1LTA4HNQO1MPOMAPT
SCHEMBL29366895 0.82 ALDH1A1 (0.50) ALDH1A1LTA4HNQO1MPOMAPT
SCHEMBL17223029 0.78
SCHEMBL7437521 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL19732780 0.76 ALOX5 (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2259297 0.76 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL755011 0.75 ALDH1A1 (0.48) ALDH1A1LTA4HNQO1MPOMAPT
SCHEMBL5888942 0.75 CA12 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150318095-A1 MAGNETIC SUBSTANCE AND MAGNETIC SUBSTANCE MANUFACTURING METHOD IHI CORPORATION (JP) 2015-11-05 US disclosed
EP-1916244-B1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-12-04 EP disclosed
EP-1882694-B1 OLIGOMERS AND POLYMERS OF THIOPHENE COMPOUNDS HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-04-03 EP disclosed
US-8008425-B2 Thiophene compound having sulfonyl group and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-30 US disclosed
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
EP-1916244-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-04-30 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-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME TST, ABCG2, CBR3 ALDH1A1 1104/4885LTA4H 1627/4885NQO1 2363/4885

“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.