SCHEMBL30945238

SCHEMBL30945238

CC1(C)OB(c2ccc(C3CC3)cc2F)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
HIF1A Q16665 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
HRH3 Q9Y5N1 4/20 0.31
ROCK1 Q13464 1/20 0.30
P2RX7 Q99572 1/20 0.30
RORC P51449 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL2524652 1.00 LPL (0.36) LPLLIPGHIF1AESR1ESR2
SCHEMBL26991546 0.93 HIF1A (0.39) LPLLIPGHIF1AJAK2BTK
Heptane SCHEMBL28183875 0.91 LPL (0.41) LPLLIPG
SCHEMBL31222912 0.90 QDPR (0.41) HRH3
SCHEMBL24802990 0.89 QDPR (0.44) HRH3
SCHEMBL31223008 0.89 QDPR (0.44) HRH3
SCHEMBL24658423 0.85 JAK2 (0.33) LPLLIPGJAK2BTKROCK1
SCHEMBL15031645 0.83 HIF1A (0.33) LPLLIPGHIF1AESR2P2RX7
SCHEMBL29891190 0.82 HIF1A (0.35) LPLLIPGHIF1AJAK2BTK
SCHEMBL24746032 0.82 HIF1A (0.35) LPLLIPGHIF1AJAK2BTK

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
EP-4504733-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2025-02-12 EP disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 LPL 4701/4885LIPG 4775/4885HIF1A 3094/4885

“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.