SCHEMBL26704683

SCHEMBL26704683

CC(C)Cc1cc(C(C)C)cc(CN(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ GSR P00390 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 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
SCHEMBL12120832 0.78 NOS2 (0.42) NOS3NOS1NOS2ESR1KDM4E
SCHEMBL12120835 0.72 BRD4 (0.36) NOS3NOS1NOS2ESR1
SCHEMBL12120836 0.71 NOS3 (0.40) NOS3NOS1NOS2ESR1
SCHEMBL26704680 0.71 NOS3 (0.34) NOS3NOS1NOS2ESR1KDM4E
SCHEMBL12120831 0.70 NOS3 (0.39) NOS3NOS1NOS2ESR1KDM4E
SCHEMBL27286921 0.70 NOS3 (0.33) NOS3NOS1NOS2GSRKDM4E
SCHEMBL16477887 0.69 RXRA (0.37) CYP1A2CYP2D6GSRKDM4EALDH1A1
SCHEMBL12120830 0.69 FABP3 (0.41) NOS3NOS1NOS2ESR1
SCHEMBL18157907 0.68 KDM4E (0.45) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL1119955 0.68 NOS2 (0.50) NOS3NOS1NOS2ESR1KDM4E

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-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 — — 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-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 NOS3 4820/4885NOS1 4856/4885NOS2 4840/4885

“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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