SCHEMBL29317119

SCHEMBL29317119

CC(C)CCc1cc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ ESR1 P03372 6/20 0.38
▸ SORT1 Q99523 1/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ DAO P14920 1/20 0.33
▸ HRH4 Q9H3N8 4/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ EPAS1 Q99814 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16869672 0.90 HIF1A (0.37) NOS3NOS1NOS2ESR1SORT1
SCHEMBL3518997 0.81 — —
Hydrochloric Acid SCHEMBL17361360 0.80 — —
SCHEMBL29057533 0.79 TSHR (0.30) TSHR
SCHEMBL291612 0.79 — —
SCHEMBL344424 0.79 — —
Bromide SCHEMBL28380981 0.78 — —
SCHEMBL26129787 0.78 — —
SCHEMBL19764531 0.78 HRH4 (0.36) HRH4SMN1; SMN2
SCHEMBL27835524 0.78 HIF1A (0.33) HIF1AEPAS1TSHR

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 — — US disclosed
US-11833210-B2 ASH1L inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-12-05 — — 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 (2 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-11833210-B2 ASH1L inhibitors and methods of treatment therewith ASH1L, DOT1L, ASH2L NOS3 4494/4885NOS1 4235/4885NOS2 4308/4885
US-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD NOS3 501/4885NOS1 309/4885NOS2 407/4885

“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.

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