SCHEMBL6700799

SCHEMBL6700799

CC1(C)Oc2cc(O)c(C=O)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ ERN1 O75460 9/20 0.38
▸ TYR P14679 2/20 0.38
▸ TRIM24 O15164 2/20 0.38
▸ TRIM33 Q9UPN9 2/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CDK1 P06493 1/20 0.33

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
SCHEMBL29442763 1.00 TSHR (0.48) TSHRERN1TYRTRIM24TRIM33
SCHEMBL22743796 0.81 ERN1 (0.37) ERN1TYRTRIM24TRIM33CDK1
SCHEMBL30714940 0.77 TSHR (0.48) TSHRERN1CYP1A2CYP2C9CYP2C19
SCHEMBL28469808 0.74 ALDH1A1 (0.42) ERN1TYRTRIM24TRIM33
SCHEMBL765967 0.72 LMNA (0.55) ERN1TRIM24TRIM33
SCHEMBL1317358 0.72 ERN1 (0.49) TSHRERN1TYRTRIM24TRIM33
SCHEMBL30634677 0.72 LMNA (0.55) ERN1TRIM24TRIM33
SCHEMBL4289408 0.71 ERN1 (0.54) ERN1TYRTRIM24TRIM33CDK1
SCHEMBL7292586 0.70 RARB (0.39) ERN1TYRTRIM24TRIM33
SCHEMBL22721417 0.69 TSHR (0.54) TSHRALOX15ALOX12CYP1A2CYP2C9

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-20220259223-A1 BENZOTRIAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2022-08-18 — — US disclosed
CN-114174289-A Benzotriazole derivatives 宇部兴产株式会社 2022-03-11 — — CN disclosed
WO-2020241853-A1 BENZOTRIAZOLE DERIVATIVE 宇部興産株式会社 2020-12-03 — — WO disclosed
US-20040049056-A1 Process for preparation of esculetin compounds, esculetin compounds and intermediates thereof, and use of both KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-03-11 — — US disclosed
EP-1357118-A1 PROCESS FOR PREPARATION OF ESCULETIN COMPOUNDS, ESCULETIN COMPOUNDS AND INTERMEDIATES THEREOF, AND USE OF BOTH Kureha Chemical Industry Co., Ltd. (JP) 2003-10-29 — — EP 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-20040049056-A1 Process for preparation of esculetin compounds, esculetin compounds and intermediates thereof, and use of both SUCLG1, SALL4, HSD17B14 TSHR 4527/4885ERN1 1019/4885TYR 62/4885
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE KEAP1, NFE2L2, BACH1 TSHR 4053/4885ERN1 3201/4885TYR 547/4885

“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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