SCHEMBL21886597

SCHEMBL21886597

CCCCCCCC(CCCCCC)n1cc(C)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
G6PD P11413 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 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
SCHEMBL20729438 0.97 ALDH1A1 (0.36) MEN1KMT2ANPSR1GRM2ALDH1A1
SCHEMBL21887113 0.75 MEN1 (0.40) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL23098512 0.75 MEN1 (0.40) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL21898974 0.75 MEN1 (0.40) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL22363327 0.75 MEN1 (0.40) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL24999045 0.73 GPR84 (0.39) CYP2C19CYP3A4
SCHEMBL23921792 0.73 GPR84 (0.39) CYP2C19CYP3A4
SCHEMBL24376717 0.69 GPR84 (0.43) MEN1KMT2AGRM2MAPTTP53
SCHEMBL23353346 0.69 CYP2C19 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2CYP2C19
SCHEMBL22106705 0.69 CYP2C19 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2CYP2C19

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-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-27 US disclosed
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2020-04-16 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-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX MEN1 4032/4885KMT2A 963/4885NPSR1 3983/4885
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX MEN1 4032/4885KMT2A 963/4885NPSR1 3983/4885

“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.