SCHEMBL21695449

SCHEMBL21695449

CCCC(CCCC=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.41
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CETP P11597 3/20 0.35
PPARG P37231 2/20 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
SCHEMBL3426595 0.89 TSHR (0.44) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16177916 0.88 CTSK (0.42) CTSKSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL15541563 0.84 CTSK (0.43) CTSKSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL13672306 0.84 TSHR (0.44) CTSKSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28998085 0.81 CETP (0.45) MEN1KMT2AMAPK1CETP
SCHEMBL30524953 0.81 CETP (0.42) CTSKSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8917997 0.80 SLC1A3 (0.41) CTSKSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28161709 0.80 TSHR (0.35) CTSKSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL11731022 0.79 CETP (0.41) CTSKSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL11731029 0.79 CETP (0.41) CTSKSLC1A3SLC1A2SLC1A1MEN1

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-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 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-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 CTSK 2564/4885SLC1A3 4123/4885SLC1A2 4408/4885

“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.