SCHEMBL3733953

SCHEMBL3733953

OCc1ccc(OCCC2CC2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
SLC6A4 P31645 2/20 0.43
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
IDO1 P14902 1/20 0.38
PPARG P37231 1/20 0.38
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL3722109 0.84 IKBKE (0.41) SLC6A4
SCHEMBL24252451 0.79 ALDH1A1 (0.56) HPGDKDM4EMEN1ALDH1A1LMNA
SCHEMBL30451941 0.79 ALDH1A1 (0.56) HPGDKDM4EMEN1ALDH1A1LMNA
SCHEMBL30712291 0.77 C5AR1 (0.53) HPGDPPARGALDH1A1
SCHEMBL28410322 0.77 C5AR1 (0.53) HPGDPPARGALDH1A1
SCHEMBL3718915 0.77 HPGD (0.49) HPGDF2PLAUST14KDM4E
SCHEMBL12603170 0.76 S1PR2 (0.51) HPGDF2PLAUST14KDM4E
SCHEMBL1390849 0.75 NFE2L2 (0.53) HPGD
SCHEMBL4682048 0.73 ACACB (0.48) PPARGKDM4EALDH1A1
SCHEMBL1390954 0.73 MAPT (0.49) HPGDKDM4EMEN1ALDH1A1LMNA

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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC HPGD 672/4885SLC6A4 4358/4885PIM1 2794/4885

“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.