SCHEMBL5598540

SCHEMBL5598540

Cc1c(C(=O)O)ccc2c1C(NCc1ccc(C#Cc3ccc(F)cc3)cc1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
SSTR3 P32745 4/20 0.39
ALDH1A1 P00352 2/20 0.38
METAP2 P50579 1/20 0.38
FFAR1 O14842 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5598085 0.87 KDM4E (0.41) KDM4EALDH1A1HDAC1HDAC6
SCHEMBL2858467 0.79 SSTR3 (0.48) KDM4ESSTR3ALDH1A1HDAC1HDAC6
SCHEMBL2855184 0.74 KDM4E (0.46) KDM4ESSTR3ALDH1A1HDAC1HDAC6
SCHEMBL13711749 0.65 KDM4E (0.48) KDM4ESSTR3ALDH1A1HDAC1HDAC6
SCHEMBL6254168 0.62 KDM4E (0.57) KDM4EALDH1A1KMT2A
SCHEMBL18023358 0.61 HDAC1 (0.51) SSTR3ALDH1A1HDAC1KMT2A
SCHEMBL6419613 0.61 RXRA (0.46) KDM4EALDH1A1METAP2CYP1A2
SCHEMBL5461934 0.60 PRMT5 (0.69) GAA
SCHEMBL17605620 0.60 BCHE (0.52) SSTR3ALDH1A1HDAC1SMN1; SMN2KMT2A
SCHEMBL17605618 0.60 BCHE (0.52) SSTR3ALDH1A1HDAC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS KDM4E 1973/4885SSTR3 1840/4885ALDH1A1 1454/4885

“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.