SCHEMBL24198753

SCHEMBL24198753

CCCC(C)(CC)C(=O)c1cncc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.50
▸ ATM Q13315 1/20 0.46
▸ SMYD3 Q9H7B4 3/20 0.37
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ACKR3 P25106 6/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL24198771 0.84 POLB (0.50) HCAR2CYP2C19HTTRAB9AEGFR
SCHEMBL24198736 0.82 HCAR2 (0.55) HCAR2ATMSMYD3CYP2C19CYP2C9
SCHEMBL24198695 0.81 DDR1 (0.42) ACKR3CYP1A2CYP3A4POLB
SCHEMBL18994707 0.78 HPGD (0.47) CYP2C19POLB
SCHEMBL8237840 0.78 HCAR2 (0.62) HCAR2ATMSMYD3CYP2C19CYP2C9
SCHEMBL10274533 0.75 HCAR2 (0.58) HCAR2ATMSMYD3CYP2C19CYP2C9
SCHEMBL21919758 0.73 CA5A (0.36) —
SCHEMBL24435634 0.73 SERPINE1 (0.45) HTTKDM4EPOLB
SCHEMBL3473330 0.73 HCAR2 (0.60) HCAR2ATMSMYD3HTTRAB9A
SCHEMBL24198754 0.72 HCAR2 (0.55) HCAR2SMYD3CYP2C19CYP2C9PTGS2

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-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 — — 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD HCAR2 4422/4885ATM 3043/4885SMYD3 2996/4885

“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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