SCHEMBL17891663

SCHEMBL17891663

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCCCCC=CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
P2RX4 Q99571 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
NTSR1 P30989 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
TRPA1 O75762 2/20 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
SCHEMBL17891660 1.00 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL17891664 0.84 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL1401247 0.83 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL14204903 0.80 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL27174611 0.79 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL3380568 0.79 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL291132 0.79 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL30954762 0.79 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL8070812 0.78 ALDH1A1 (0.75) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL15987982 0.77 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH 2018-05-10 US disclosed
US-9850268-B2 Metathesis catalysts and methods thereof TRUSTEES OF BOSTON COLLEGE (US) 2017-12-26 US disclosed
US-20160194343-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-07-07 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 (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-20160194343-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS ALDH1A1 296/4885LMNA 940/4885KDM4E 1316/4885
US-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS ALDH1A1 296/4885LMNA 940/4885KDM4E 1316/4885

“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.