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
SCHEMBL344424 0.79
SCHEMBL291612 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.