SCHEMBL6448838

SCHEMBL6448838

O=C(c1ccccc1)c1ccc2c(c1)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SRD5A2 P31213 1/20 0.50
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMYD3 Q9H7B4 2/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL6449969 0.96 ALDH1A1 (0.67) ALDH1A1L3MBTL1ATMTDP1NPC1
SCHEMBL8384926 0.90 ALDH1A1 (0.67) ALDH1A1L3MBTL1TDP1NPC1RAB9A
SCHEMBL14124796 0.89 ALDH1A1 (0.72) ALDH1A1NPC1RAB9ASRD5A2CTNNB1
SCHEMBL4522399 0.85 ALDH1A1 (0.61) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14124788 0.85 ALDH1A1 (0.79) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL12877794 0.83 CDC25B (0.62) ALDH1A1ATMGAAMEN1KMT2A
SCHEMBL18925435 0.82 ATM (0.56) ALDH1A1L3MBTL1ATMTDP1NPC1
SCHEMBL5712105 0.81 ALDH1A1 (0.71) ALDH1A1L3MBTL1TDP1NPC1RAB9A
SCHEMBL15988780 0.81 CTNNB1 (0.68) ALDH1A1L3MBTL1TDP1NPC1RAB9A
SCHEMBL1713977 0.80 ALDH1A1 (0.92) ALDH1A1L3MBTL1TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139777-B2 Composition of liquid crystal medium SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD (CN) 2015-09-22 US disclosed
US-20150210922-A1 COMPOSITION OF LIQUID CRYSTAL MEDIUM SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2015-07-30 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 ALDH1A1 727/4885L3MBTL1 3346/4885ATM 3274/4885

“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.