SCHEMBL982665

SCHEMBL982665

O=C1CC(c2ccc3cc[nH]c3c2)C(=O)N1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT6 P42226 1/20 0.45
MAPK14 Q16539 1/20 0.43
TSHR P16473 3/20 0.43
ALOX15 P16050 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 2/20 0.42

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
SCHEMBL982894 0.92 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2789208 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL985642 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3602720 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL29158183 0.77 GPBAR1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL29158182 0.77 GPBAR1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL25890038 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL12640683 0.76 CYP19A1 (0.62) ALDH1A1SMN1; SMN2KMT2AGAACYP1A2
SCHEMBL982063 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2778056 0.74 NR4A2 (0.47) ALDH1A1KMT2AMEN1GAACYP1A2

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
EP-2257545-B1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 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-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF SLC6A3, MAOB, TPH2 ALDH1A1 837/4885SMN1; SMN2 2324/4885KMT2A 2106/4885

“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.