SCHEMBL16204303

SCHEMBL16204303

Cn1c2c(c3c1CCCCCCCC3)CCCCCCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.41
▸ RAB9A P51151 10/20 0.38
▸ LMNA P02545 7/20 0.38
▸ HTT P42858 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ PABPC1 P11940 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ NPC1 O15118 5/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ SLC2A1 P11166 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PAX8 Q06710 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL19139674 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL18506694 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL18506656 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL18506667 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL18506668 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL16204299 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL22210771 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL21573718 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL22210756 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1RAB9A
SCHEMBL12251825 0.97 ALOX5 (0.42) ALOX5PTGS1PTGS2RXFP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 — — US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 — — 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 ALOX5 1565/4885PTGS1 472/4885PTGS2 775/4885

“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.

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