SCHEMBL25696308

SCHEMBL25696308

Cc1ccc2c(O)nn(C(C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RIPK2 O43353 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ RET P07949 1/20 0.32
▸ P2RY6 Q15077 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PARP15 Q460N3 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 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
SCHEMBL25696301 0.79 RET (0.39) ALDH1A1ATML3MBTL1RAB9ALMNA
SCHEMBL26564649 0.77 PDE4A (0.37) ALDH1A1ATMNPC1RAB9ALMNA
SCHEMBL27051631 0.72 NR1I2 (0.38) ALDH1A1NPC1RAB9ALMNAESR1
SCHEMBL15195161 0.70 SMN1; SMN2 (0.42) ALDH1A1ATML3MBTL1LMNAP2RY6
SCHEMBL19373835 0.67 CYP1A2 (0.35) ALDH1A1RAB9ALMNATRPA1TP53
SCHEMBL23402408 0.66 HPGD (0.38) ALDH1A1ATML3MBTL1LMNARIPK2
SCHEMBL23402604 0.66 ALDH1A1 (0.38) ALDH1A1ATML3MBTL1NPC1RAB9A
SCHEMBL23402221 0.64 HPGD (0.38) ALDH1A1ATML3MBTL1NPC1RAB9A
SCHEMBL19848563 0.64 HCAR3 (0.47) ALDH1A1RAB9ALMNAP2RY6CYP2C9
SCHEMBL25696305 0.64 KMO (0.45) ALDH1A1LMNARETP2RY6TDP1

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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — 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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 ALDH1A1 3223/4885ATM 1709/4885L3MBTL1 3102/4885

“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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