SCHEMBL26522334

SCHEMBL26522334

CC(C)(C)c1cccc2ccc(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
ALDH1A1 P00352 2/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
MIF P14174 1/20 0.48
TYR P14679 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA2 P00918 1/20 0.48
TRPV1 Q8NER1 7/20 0.46
CYP1A2 P05177 1/20 0.43
NQO2 P16083 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 1/20 0.42

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
SCHEMBL11955002 0.85 ALDH1A1 (0.48) MCL1ALDH1A1NR1I2LMNACYP2C9
SCHEMBL10224686 0.84 MCL1 (0.49) MCL1TRPV1CYP1A2NQO2MTNR1A
Hydroquinone SCHEMBL28095978 0.81 CA2 (0.45) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL24433804 0.81 NR1I2 (0.39) MCL1ALDH1A1NR1I2LMNACYP2C9
SCHEMBL19196145 0.78 CA2 (0.50) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL23074859 0.78 CYP2A6 (0.59) ALDH1A1TYRHSD17B10CA2CYP1A2
SCHEMBL28423964 0.77 CA2 (0.46) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL11134677 0.77 ALDH1A1 (0.52) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL10987327 0.77 ALDH1A1 (0.52) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL23922264 0.77 CA2 (0.39) MCL1ALDH1A1HSD17B10CA2CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
CN-115103871-A Resin composition, cured film, laminate, method for producing cured film, and semiconductor device 富士胶片株式会社 2022-09-23 CN disclosed
CN-114981360-A Curable resin composition, cured film, laminate, method for producing cured film, and semiconductor device 富士胶片株式会社 2022-08-30 CN 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-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR MCL1 1080/4885ALDH1A1 2476/4885NR1I2 974/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS MCL1 533/4885ALDH1A1 3193/4885NR1I2 1255/4885

“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.