SCHEMBL675907

SCHEMBL675907

CCOCn1c2ccccc2c2ccc(C#CC3CCCCC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
IDO1 P14902 1/20 0.34
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ELANE P08246 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL678838 0.81 CRHBP (0.46) GRM5CYP1A2ALDH1A1TSHRGAA
SCHEMBL676181 0.80 GRM5 (0.42) GRM5CYP1A2ALDH1A1KDM4EL3MBTL1
SCHEMBL676145 0.77 CYP1A2 (0.41) GRM5CYP1A2ALDH1A1KDM4EL3MBTL1
SCHEMBL674752 0.73 PTGER4 (0.49) CYP1A2ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL676186 0.65 POLB (0.41) ALDH1A1KDM4EL3MBTL1HPGDTSHR
SCHEMBL676114 0.63 PTGER4 (0.56) GRM5ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL4864111 0.62 GRM5 (0.58) GRM5CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL13553021 0.62 MEN1 (0.49) CYP1A2ALDH1A1KDM4EHPGDTSHR
SCHEMBL676791 0.61 PTGER4 (0.49) CYP1A2ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL24609501 0.60 NPC1 (0.48) CYP1A2ALDH1A1KDM4EL3MBTL1HPGD

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
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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 (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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 GRM5 3229/4885CYP1A2 1915/4885ADRA2A 1030/4885

“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.