SCHEMBL20739962

SCHEMBL20739962

CCS(CC)(CC)c1cc2ccc(C)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2A6 P11509 3/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ KMO O15229 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ESR1 P03372 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
SCHEMBL19559092 0.86 MAPT (0.46) MAPTRXFP1CYP1A2CYP2A6LMNA
SCHEMBL18685613 0.79 KMT2A (0.46) MAPTHTR2AHTR2CBRPF1KDM4E
SCHEMBL23009350 0.74 MIF (0.46) MAPTCYP1A2LMNAMEN1KMT2A
SCHEMBL19559026 0.73 MAPT (0.41) MAPTCA2KDM4ELMNAALDH1A1
SCHEMBL5986735 0.71 MAPT (0.52) MAPTRXFP1CYP1A2CYP2A6HTR2A
SCHEMBL23009347 0.71 ADORA1 (0.34) CYP1A2
SCHEMBL19559091 0.70 RAPGEF4 (0.37) MAPTKDM4ELMNAALDH1A1HSD17B10
SCHEMBL13677550 0.69 MAPT (0.46) MAPTRXFP1CYP1A2CYP2A6HTR2A
SCHEMBL19557285 0.69 MAPT (0.42) MAPTRXFP1CYP1A2CYP2A6HTR7
SCHEMBL24508439 0.69 CA2 (0.52) MAPTCA2HTR2CKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 — — US disclosed
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-06-16 — — US disclosed
US-10513531-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-12-24 — — US disclosed
US-20190048030-A1 SILYLATED DERIVATIVES OF AROMATIC HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-02-14 — — 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 (4 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-11753421-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 MAPT 4150/4885RXFP1 4798/4885CA2 934/4885
US-20220185828-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 MAPT 4150/4885RXFP1 4798/4885CA2 934/4885
US-10513531-B2 Silylated derivatives of aromatic heterocycles HNRNPH3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SBK3 MAPT 3943/4885RXFP1 4834/4885CA2 1470/4885
US-20190048030-A1 SILYLATED DERIVATIVES OF AROMATIC HETEROCYCLES HNRNPH3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SBK3 MAPT 3943/4885RXFP1 4834/4885CA2 1470/4885

“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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