SCHEMBL2422772

SCHEMBL2422772

O=C(OCC(F)(F)S(=O)(=O)O)C12CC3CC(CC(C3)C1)C2.c1ccc(SC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
ALDH1A1 P00352 8/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP17A1 P05093 4/20 0.36
CYP19A1 P11511 4/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GABBR2 O75899 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4358883 0.81 ALDH1A1 (0.48) RECQLALDH1A1GAASMN1; SMN2CYP17A1
SCHEMBL4355830 0.80 ALDH1A1 (0.47) RECQLALDH1A1GAASMN1; SMN2CYP17A1
SCHEMBL2610451 0.80 ALDH1A1 (0.44) RECQLALDH1A1GAACYP17A1CYP19A1
SCHEMBL1398391 0.79 ALDH1A1 (0.43) RECQLALDH1A1GAACYP17A1CYP19A1
SCHEMBL3454419 0.77 GAA (0.43) RECQLALDH1A1GAASMN1; SMN2CYP17A1
SCHEMBL2428259 0.77 GAA (0.42) ALDH1A1GAASMN1; SMN2L3MBTL1KMT2A
SCHEMBL4358881 0.75 ALDH1A1 (0.44) RECQLALDH1A1GAASMN1; SMN2CYP17A1
SCHEMBL2425910 0.75 SLC1A5 (0.40) ALDH1A1SMN1; SMN2L3MBTL1KDM4EKMT2A
SCHEMBL2424226 0.75 CYP1A2 (0.39) ALDH1A1GAAL3MBTL1KDM4EKMT2A
SCHEMBL2422774 0.74 ALDH1A1 (0.39) RECQLALDH1A1GAASMN1; SMN2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026390-B2 Photoacid generator containing aromatic ring Korea Kumho Petrochenicals Co., Ltd. (KR) 2011-09-27 US disclosed
US-20100113818-A1 Photoacid generator containing aromatic ring KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2010-05-06 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 (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-20100113818-A1 Photoacid generator containing aromatic ring HAO2, PAH, PPOX RECQL 1846/4885ALDH1A1 1112/4885GAA 3460/4885

“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.