SCHEMBL8226788

SCHEMBL8226788

CCC(C)C(=O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.45
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MPO P05164 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42

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
SCHEMBL24221611 0.85 LMNA (0.48) CYP2D6KDM4ELMNAMAPTALDH1A1
SCHEMBL18949188 0.85 LMNA (0.55) CYP3A4CYP1A2MAOAMAOBPTGS2
SCHEMBL18782788 0.82 NAPRT (0.46) CYP3A4CYP1A2MAOAMAOBPTGS2
SCHEMBL14705760 0.80 MAOA (0.41) CYP3A4CYP1A2MAOAMAOBPTGS2
SCHEMBL10489465 0.79 PGR (0.58) KMT2ALMNAMAPTMAPK1HPGD
SCHEMBL12955855 0.79 KDM4E (0.48) CYP2D6KDM4ELMNAMAPTALDH1A1
SCHEMBL2128162 0.79 PGR (0.58) KMT2ALMNAMAPTMAPK1HPGD
SCHEMBL888683 0.79 CYP1A2 (0.55) CYP3A4CYP1A2MAOAMAOBPTGS2
SCHEMBL4424991 0.78 NAPRT (0.48) CYP3A4CYP1A2MAOAMAOBPTGS2
SCHEMBL13845395 0.78 ALDH1A1 (0.52) KMT2ANPSR1LMNAALDH1A1PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 — — US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 — — US disclosed
US-7452672-B2 Methods of analyzing polynucleotides employing energy transfer dyes APPLIED BIOSYSTEMS INC. (US) 2008-11-18 — — US disclosed
WO-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2008-03-20 — — WO disclosed
US-20070154926-A1 Linkers for donor dyes to acceptor dyes for energy transfer between dyes with fluorescence APPLERA CORPORATION (US) 2007-07-05 — — 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 (3 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT CYP3A4 823/4885CYP1A2 1713/4885MAOA 3442/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 CYP3A4 1961/4885CYP1A2 2707/4885MAOA 1724/4885
US-20070154926-A1 Linkers for donor dyes to acceptor dyes for energy transfer between dyes with fluorescence SLC25A21, RPS28, ZCCHC8 CYP3A4 3376/4885CYP1A2 2761/4885MAOA 1835/4885

“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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