SCHEMBL2490327

SCHEMBL2490327

CCN(CC)c1c[c]ccc1O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 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
SCHEMBL6008290 0.77 EP300 (0.36) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9147492 0.73 S100B (0.33) ALDH1A1CYP3A4TDP1
SCHEMBL15389999 0.73 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL27705827 0.72 ALDH1A3 (0.33) ALDH1A1
SCHEMBL9311864 0.72 GAA (0.33) GAA
SCHEMBL27813748 0.72 CCR5 (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL387883 0.70 ALDH1A1 (0.42) ALDH1A1CYP3A4KDM4EMAPTMEN1
SCHEMBL10333062 0.70 ALDH1A1 (0.42) ALDH1A1CYP3A4KDM4EMAPTMEN1
SCHEMBL7822601 0.69 PRKCI (0.53) ALDH1A1CYP3A4KDM4EMAPTMEN1
SCHEMBL27686773 0.69 ALDH1A1 (0.31) ALDH1A1CYP3A4MAPTTDP1GAA

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
EP-2379505-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY Designmedix, Inc. (US) 2011-10-26 EP claimed
US-20110251210-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY PORTLAND STATE UNIVERSITY (US) 2011-10-13 US claimed
WO-2010065932-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY DESIGNMEDIX, INC. (US) 2010-06-10 WO claimed
CN-112867751-B Dispersants for coating systems 巴斯夫欧洲公司 2023-10-27 CN disclosed
US-20210230362-A1 A DISPERSANT FOR COATING SYSTEM BASF SE (DE) 2021-07-29 US disclosed
CN-112867751-A Dispersants for coating systems 巴斯夫欧洲公司 2021-05-28 CN disclosed
US-8658648-B2 Modified chloroquines with single ring moiety or fused ring moiety DESIGNMEDIX, INC. (US) 2014-02-25 US disclosed
EP-2379505-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY Designmedix, Inc. (US) 2011-10-26 EP disclosed
US-20110251210-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY PORTLAND STATE UNIVERSITY (US) 2011-10-13 US disclosed
WO-2010065932-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY DESIGNMEDIX, INC. (US) 2010-06-10 WO 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-20110251210-A1 MODIFIED CHLOROQUINES WITH SINGLE RING MOIETY OR FUSED RING MOIETY QARS1, MAVS, QDPR ALDH1A1 3151/4885CYP3A4 795/4885KDM4E 1690/4885

“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.