SCHEMBL10061383

SCHEMBL10061383

COc1cc(/C=C/C(O)=C2\CCC/C(=C\c3ccc(OC(=O)C(N)C(C)C)c(CO)c3)C2=O)ccc1OC(=O)C(N)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 11/20 0.58
PSMB5 P28074 1/20 0.55
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
JUN P05412 1/20 0.41
MME P08473 1/20 0.41
NFKB1 P19838 1/20 0.41
NOD2 Q9HC29 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PLIN1 O60240 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
EGFR P00533 1/20 0.37

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
SCHEMBL10080276 0.93 FGFR1 (0.63) FGFR1PSMB5MEN1KMT2AJUN
SCHEMBL10061387 0.80 NFKB1 (0.61) FGFR1PSMB5MEN1KMT2AJUN
Hydrochloric Acid SCHEMBL22817905 0.78 FGFR1 (0.42) FGFR1PSMB5MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL22817906 0.78 FGFR1 (0.42) FGFR1PSMB5MEN1KMT2AGAA
SCHEMBL10061389 0.78 FGFR1 (0.42) FGFR1PSMB5MEN1KMT2AJUN
SCHEMBL10079960 0.75 MEN1 (0.72) FGFR1PSMB5MEN1KMT2AJUN
SCHEMBL626166 0.75 PSMB5 (0.58) FGFR1PSMB5MEN1KMT2AJUN
SCHEMBL626167 0.75 PSMB5 (0.58) FGFR1PSMB5MEN1KMT2AJUN
SCHEMBL13341566 0.74 CYP1A2 (0.47) FGFR1PSMB5MEN1KMT2AMAPT
SCHEMBL10061379 0.74 PSMB5 (0.39) FGFR1PSMB5MEN1KMT2AMAPT

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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 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 (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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG FGFR1 4281/4885PSMB5 1264/4885MEN1 4644/4885

“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.