SCHEMBL6714109

SCHEMBL6714109

C/C(=N\C1CCCCC1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
HSP90AA1 P07900 3/20 0.48
HKDC1 Q2TB90 1/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 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
GAA P10253 3/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
TOP2A P11388 2/20 0.43
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6714110 1.00 KDM4E (0.54) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
Hydrochloric Acid SCHEMBL7175502 0.82 ALDH1A1 (0.51) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
Hydrochloric Acid SCHEMBL6119092 0.82 ALDH1A1 (0.51) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
Hydrochloric Acid SCHEMBL7183213 0.82 ALDH1A1 (0.51) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
Hydrochloric Acid SCHEMBL7180535 0.82 ALDH1A1 (0.51) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
Hydrochloric Acid SCHEMBL7173330 0.82 ALDH1A1 (0.51) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
Hydrochloric Acid SCHEMBL7175999 0.82 ALDH1A1 (0.51) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
SCHEMBL4887030 0.81 ALDH1A1 (0.54) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
SCHEMBL4887039 0.81 ALDH1A1 (0.54) KDM4EALDH1A1ALOX15HSP90AA1HKDC1
SCHEMBL4894210 0.80 ALDH1A1 (0.51) KDM4EALDH1A1ALOX15HSP90AA1HKDC1

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
WO-2019053541-A1 ACRYLATES THROUGH OLEFIN/CARBON DIOXIDE COUPLING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-03-21 WO disclosed
WO-2019053540-A1 METHODS OF PRODUCING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID SALTS FROM ALKANES AND CARBON DIOXIDE SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-03-21 WO disclosed
WO-2017158469-A1 METHODS OF MAKING ALPHA, BETA-UNSATURATED CARBOXYLIC ACIDS OR SALTS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-09-21 WO disclosed
US-20040087434-A1 Chromium catalysts active in olefin polymerization REPSOL QUIMICA, S.A. (ES) 2004-05-06 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-20040087434-A1 Chromium catalysts active in olefin polymerization CBR1, SCO2, CBR3 KDM4E 3664/4885ALDH1A1 2731/4885ALOX15 795/4885

“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.