SCHEMBL13490256

SCHEMBL13490256

Cc1ccc(N2CCN(c3ccc(C)cc3C)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 6/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
HTT P42858 6/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.43
ADRB1 P08588 1/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 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
SCHEMBL3420619 0.91 MAPT (0.56) ALDH1A1MAPTMCOLN3HTTPOLB
SCHEMBL11503790 0.82 ALDH1A1 (0.50) ALDH1A1MAPTMCOLN3HTTPOLB
SCHEMBL818462 0.82 ADRB1 (0.58) ALDH1A1MAPTHTTPOLBLMNA
SCHEMBL10345256 0.82 HTT (0.50) ALDH1A1MAPTMCOLN3HTTPOLB
Hydrochloric Acid SCHEMBL7721532 0.80 ADRB1 (0.56) ALDH1A1MAPTHTTPOLBLMNA
SCHEMBL14105917 0.79 MAPT (0.45) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL19733404 0.78 MAPT (0.38) ALDH1A1MAPTLMNAADRB1HPGD
SCHEMBL13490117 0.77 HTR3E (0.59) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL7923952 0.76 HTR1A (0.58) ALDH1A1MAPTMCOLN3HTTPOLB
SCHEMBL4793791 0.75 HTT (0.53) ALDH1A1MAPTMCOLN3HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139907-B1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (DE) 2013-08-14 EP disclosed
US-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX CIBA CORPORATION (US) 2010-02-25 US disclosed
WO-2009087064-A1 ELECTROLUMINESCENT IONIC HOST-GUEST DENDRITIC MATERIALS BASF SE (DE) 2009-07-16 WO disclosed
WO-2008098851-A1 ELECTROLUMINESCENT METAL COMPLEX BASF SE (CH) 2008-08-21 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-20100044688-A1 ELECTROLUMINESCENT METAL COMPLEX LDHA, LDHB, NRP1 ALDH1A1 233/4885MAPT 4595/4885MCOLN3 988/4885

“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.