SCHEMBL18488267

SCHEMBL18488267

CC(C)c1cc(CCO)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BACE1 P56817 1/20 0.42
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
CA2 P00918 1/20 0.38
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
SLC9A1 P19634 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
HSD11B1 P28845 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL18451198 0.86 KDM4E (0.40) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL18451197 0.86 KDM4E (0.40) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL12305567 0.85 CYP4F2 (0.46) CYP4F2CYP4A11PSEN1PSEN2APH1B
SCHEMBL10268025 0.80 SKP2 (0.43) ALDH1A1CA2
SCHEMBL18487998 0.80 THRA (0.52) ALDH1A1TRPA1
SCHEMBL8205756 0.79 CYP1A2 (0.42) ALDH1A1MAPTSLC9A1TDP1TRPA1
SCHEMBL24107396 0.78 LMNA (0.41) KDM4EALDH1A1GSR
SCHEMBL18488072 0.78 HSD11B1 (0.41) ALDH1A1SLC9A1HSD11B1TRPA1
SCHEMBL18450518 0.78 ACACB (0.37) ALDH1A1CYP4F2CYP4A11
SCHEMBL18450520 0.78 ACACB (0.37) ALDH1A1CYP4F2CYP4A11

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-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL MYERS SQUIBB CO (US) 2018-08-09 US disclosed
WO-2017023905-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO 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-20180222883-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA TNF, TNFRSF9, TNFRSF1A KDM4E 3722/4885ALDH1A1 2515/4885ALOX5 1602/4885

“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.