SCHEMBL791912

SCHEMBL791912

CN(CCN1CCOCC1)CCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KEAP1 Q14145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.42
SIGMAR1 Q99720 10/20 0.42
CHRM3 P20309 1/20 0.41
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP3A4 P08684 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL14300251 0.92 ALDH1A1 (0.41) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA
SCHEMBL24065992 0.92 CA12 (0.44) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA
SCHEMBL792222 0.92 SIGMAR1 (0.45) ALDH1A1KEAP1SMN1; SMN2KDM4EGLA
SCHEMBL2733378 0.90 KEAP1 (0.53) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA
SCHEMBL14997478 0.90 ALDH1A1 (0.53) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA
SCHEMBL18024043 0.90 CHRM3 (0.40) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA
SCHEMBL684590 0.89 ALDH1A1 (0.42) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA
SCHEMBL27348846 0.88 CA12 (0.41) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA
SCHEMBL428435 0.87 ALDH1A1 (0.41) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA
SCHEMBL20328759 0.87 SMN1; SMN2 (0.39) ALDH1A1KEAP1SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801500-B2 Methods for producing tertiary amine catalysts and uses of such HUNTSMAN PETROCHEMICAL LLC (US) 2023-10-31 US disclosed
US-11801500-B2 Methods for producing tertiary amine catalysts and uses of such HUNTSMAN PETROCHEMICAL LLC (US) 2023-10-31 US disclosed
US-20210121860-A1 METHODS FOR PRODUCING TERTIARY AMINE CATALYSTS AND USES OF SUCH HUNTSMAN PETROCHEMICAL LLC (US) 2021-04-29 US disclosed
WO-2020057605-A2 GLUCOSE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 凯惠科技发展(上海)有限公司 2020-03-26 WO disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (4 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-20210121860-A1 METHODS FOR PRODUCING TERTIARY AMINE CATALYSTS AND USES OF SUCH PNMT, HNMT, TH ALDH1A1 249/4885KEAP1 999/4885SMN1; SMN2 4146/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885KEAP1 605/4885SMN1; SMN2 4306/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885KEAP1 605/4885SMN1; SMN2 4306/4885
US-11801500-B2 Methods for producing tertiary amine catalysts and uses of such PNMT, HNMT, TH ALDH1A1 249/4885KEAP1 999/4885SMN1; SMN2 4146/4885

“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.