SCHEMBL5825529

SCHEMBL5825529

Cc1ccc(OCCCl)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 6/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPT P10636 4/20 0.51
HPGD P15428 5/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
S1PR4 O95977 1/20 0.48
ALDH1A1 P00352 6/20 0.47
POLB P06746 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HTR1A P08908 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL7962056 0.92 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL891407 0.87 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL9011867 0.85 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL9011602 0.83 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL9011659 0.83 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL11790 0.82 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL8640378 0.82 HTR1A (0.63) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL9248777 0.80 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL15086526 0.80 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A
SCHEMBL12428 0.80 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111039929-A Antitumor compound NY and series derivatives thereof 中国人民解放军北部战区总医院 2020-04-21 CN disclosed
US-8927224-B2 Fluorescent ion indicators and their applications AAT BIOQUEST, INC. (US) 2015-01-06 US disclosed
US-8779165-B2 Fluorescent ion indicators and their applications AAT BIOQUEST, INC. (US) 2014-07-15 US disclosed
US-20140080170-A1 FLUORESCENT ION INDICATORS AND THEIR APPLICATIONS AAT BIOQUEST, INC. (US) 2014-03-20 US disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA SMN1; SMN2 4616/4885L3MBTL1 1545/4885KMT2A 2022/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA SMN1; SMN2 4780/4885L3MBTL1 1895/4885KMT2A 2006/4885

“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.