SCHEMBL25536711

SCHEMBL25536711

CCN(C)Cc1ccc(C(C)(C)C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
PYCR1 P32322 1/20 0.43
CHRM2 P08172 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25530573 0.84 CYP2C19 (0.49) CYP1A2CYP2C19PYCR1CYP2D6KDM4E
SCHEMBL25530577 0.83 CYP1A2 (0.41) CYP1A2CYP2C19PYCR1CYP2D6KDM4E
SCHEMBL25563236 0.80 CYP1A2 (0.45) CYP1A2CYP2C19PYCR1CYP2D6KDM4E
SCHEMBL9782933 0.80 NR1H4 (0.46) CYP1A2CYP2C19NR1H4SMN1; SMN2ALDH1A1
SCHEMBL14174962 0.79 ACHE (0.47) CYP2C19PYCR1CHRM2CYP2C9KDM4E
SCHEMBL12522848 0.79 APLNR (0.54) PYCR1KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL3624549 0.76 HTR2A (0.51) CYP1A2CYP2C19KDM4E
SCHEMBL14297626 0.75 PDCD1 (0.47) CYP1A2CYP2C19NR1H4ALDH1A1MEN1
SCHEMBL4623834 0.75 HTR2A (0.45) CYP1A2CYP2C19NR1H4MEN1HTT
SCHEMBL1753923 0.75 HTT (0.43) CYP1A2CYP2C19KDM4ENR1H4SMN1; SMN2

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 CYP1A2 3539/4885CYP2C19 2355/4885PYCR1 2907/4885

“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.