SCHEMBL25877335

SCHEMBL25877335

CC(=O)Cc1cc(C)c2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
CYP1A2 P05177 2/20 0.48
AKR1B1 P15121 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL11471749 0.86 AKR1B1 (0.58) CYP2A6CYP1A2AKR1B1ALDH1A1HPGD
SCHEMBL16539783 0.83 AKR1B1 (0.49) CYP1A2AKR1B1ALDH1A1HPGDMAPT
SCHEMBL25895988 0.82 HPGD (0.49) CYP2A6CYP1A2ALDH1A1HPGDMAPT
SCHEMBL18789582 0.81 CYP1A2 (0.50) CYP2A6CYP1A2AKR1B1ALDH1A1HPGD
SCHEMBL28145001 0.80 NR4A1 (0.49) CYP1A2AKR1B1ALDH1A1HPGDMAPT
SCHEMBL28219428 0.79 KDM4E (0.51) CYP1A2AKR1B1ALDH1A1HPGDMAPT
SCHEMBL5898012 0.78 CYP1A2 (0.55) CYP2A6CYP1A2AKR1B1ALDH1A1HPGD
SCHEMBL5898006 0.78 CYP1A2 (0.55) CYP2A6CYP1A2AKR1B1ALDH1A1HPGD
SCHEMBL6367430 0.76 CYP1A2 (0.57) CYP2A6CYP1A2ALDH1A1HPGDKDM4E
SCHEMBL7260877 0.75 CYP1A2 (0.57) CYP2A6CYP1A2AKR1B1ALDH1A1HPGD

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-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 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-20230234965-A1 N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 CYP2A6 4614/4885CYP1A2 4035/4885AKR1B1 3165/4885

“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.