Sugi Predict

Sugi Predict / Compounds / SCHEMBL7260880

SCHEMBL7260880

SCHEMBL7260880

Cc1cc(CCO)cc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.57
▸ CYP2A6 P11509 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ PTGER4 P35408 1/20 0.36
▸ TRPM4 Q8TD43 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34

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
SCHEMBL5898012 0.85 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1TSHRAPOBEC3A
SCHEMBL7653944 0.83 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1TSHRAPOBEC3A
SCHEMBL8852070 0.81 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1TSHRAPOBEC3A
SCHEMBL7260877 0.81 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1TSHRAPOBEC3A
SCHEMBL13476109 0.81 CYP2A6 (0.57) CYP1A2CYP2A6ALDH1A1APOBEC3AAPOBEC3G
SCHEMBL6367430 0.79 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1TSHRAPOBEC3A
SCHEMBL24264851 0.77 CYP1A2 (0.60) CYP1A2CYP2A6TDP1HPGDHSD17B10
SCHEMBL5898006 0.77 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1TSHRAPOBEC3A
SCHEMBL8851565 0.77 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1TSHRAPOBEC3A
SCHEMBL23465385 0.77 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1APOBEC3AAPOBEC3G

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-20230234969-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 — — US disclosed
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
CN-113527173-B Method for synthesizing indole terpene analogues through Heck tandem reaction 河南师范大学 2022-12-16 — — CN disclosed
CN-113527173-A Method for synthesizing indole terpene analogues through Heck tandem reaction 河南师范大学 2021-10-22 — — CN disclosed
WO-2003055856-A2 BICYCLIC LACTAM DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-10 — — WO 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 (2 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 CYP1A2 4035/4885CYP2A6 4614/4885TDP1 982/4885
US-20230234969-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 MCL1, BAK1, BCL2L1 CYP1A2 3671/4885CYP2A6 4431/4885TDP1 1464/4885

“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.