SCHEMBL4956017

SCHEMBL4956017

C=CCOc1cncnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA9 Q16790 5/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL3820977 0.82 CA12 (0.44) CA12CA1CA9CA2CA7
SCHEMBL3820943 0.77 CA12 (0.40) CA12CA1CA9CA2CA7
SCHEMBL31698420 0.76 CA12 (0.39) CA12CA1CA9CA2CA7
SCHEMBL6364694 0.75 CHRNB2 (0.51) LMNA
SCHEMBL3453726 0.74 CHRNB2 (0.51) CA12CA1CA9CA2CA7
SCHEMBL4189873 0.73
SCHEMBL13764327 0.73 CA12 (0.48) CA12CA1CA9CA2CA7
SCHEMBL3818350 0.72 MAPT (0.47) CA12CA1CA9CA2CA7
1,4-Diallyloxybenzene SCHEMBL302448 0.72 CA12 (0.63) CA12CA1CA9CA2CA7
SCHEMBL14030308 0.71 CHRNB2 (0.46) CA12CA1CA9CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed
CN-106518776-A Medicine raw material 5-(allyloxy)-1-fluorine-6-ethyl pyrimidine synthetic method 无锡乾浩生物医药有限公司 2017-03-22 CN disclosed
CN-106518776-A Medicine raw material 5-(allyloxy)-1-fluorine-6-ethyl pyrimidine synthetic method 无锡乾浩生物医药有限公司 2017-03-22 CN disclosed
US-7423048-B2 Compounds for treating fundic disaccomodation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-09 US disclosed
US-7081453-B2 Compounds for treating impaired fundic relaxation JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-25 US disclosed
US-20060142318-A1 Compounds for treating fundic disaccomodation VAN EMELEN KRISTOF 2006-06-29 US disclosed
EP-1296987-B1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA NV (BE) 2005-12-07 EP disclosed
US-20040019051-A1 Compounds for treating impaired fundic relaxation JANSSEN-CILAG S.A. (ES) 2004-01-29 US disclosed
EP-1296987-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-02 EP disclosed
WO-2001098306-A1 COMPOUNDS FOR TREATING IMPAIRED FUNDIC RELAXATION JANSSEN PHARMACEUTICA N.V. (BE) 2001-12-27 WO disclosed
EP-0385692-A2 Optcally active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1990-09-05 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-20040019051-A1 Compounds for treating impaired fundic relaxation CNR2, CNR1, CBR1 CA12 1192/4885CA1 485/4885CA9 65/4885
US-20060142318-A1 Compounds for treating fundic disaccomodation ALK, ADORA1, CHRM2 CA12 673/4885CA1 801/4885CA9 44/4885

“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.