SCHEMBL4887039

SCHEMBL4887039

CC(=NC1CCCCC1)c1cccc(C(C)=NC2CCCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SIGMAR1 Q99720 3/20 0.43
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GFER P55789 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL4887030 1.00 ALDH1A1 (0.54) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7180535 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6119092 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7175502 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7175999 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7173330 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7183213 0.97 ALDH1A1 (0.51) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL15840503 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL15840499 0.82 ALDH1A1 (0.42) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2
SCHEMBL15906748 0.82 ALDH1A1 (0.42) ALDH1A1ALOX15RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021180-A1 CHROMIUM CATALYSTS ACTIVE IN OLEFIN POLYMERIZATION REPSOL QUIMICA, S.A. 2008-01-24 US disclosed
EP-1325924-B1 Chromium catalysts active in olefin polymerisation REPSOL QUIMICA SA (ES) 2005-03-16 EP disclosed
US-20040087434-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA, S.A. (ES) 2004-05-06 US disclosed
EP-1325924-A1 Chromium catalysts active in olefin polymerisation REPSOL QUIMICA S.A. (ES) 2003-07-09 EP disclosed
EP-1325925-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA S.A. (ES) 2003-07-09 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-20040087434-A1 Chromium catalysts active in olefin polymerization CBR1, SCO2, CBR3 ALDH1A1 2731/4885ALOX15 795/4885RAB9A 4670/4885

“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.