SCHEMBL6399211

SCHEMBL6399211

CC(C)(C)c1ccc(O)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 7/20 0.59
▸ ALDH1A1 P00352 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ EP300 Q09472 3/20 0.46
▸ KAT2B Q92831 3/20 0.46
▸ KAT8 Q9H7Z6 3/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ LDHA P00338 1/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MIF P14174 1/20 0.45
▸ TYR P14679 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CA2 P00918 1/20 0.44

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
SCHEMBL69219 0.86 IDO1 (0.59) IDO1ALDH1A1TSHRTDP1EP300
SCHEMBL7764200 0.86 ALDH1A1 (0.60) IDO1ALDH1A1TSHRTDP1ALOX15
SCHEMBL5517816 0.85 ALDH1A1 (0.48) IDO1ALDH1A1TSHRTDP1ALOX15
SCHEMBL3433860 0.81 IDO1 (0.52) IDO1ALDH1A1TSHRTDP1EP300
SCHEMBL20414568 0.78 IDO1 (0.48) IDO1ALDH1A1TSHRTDP1EP300
SCHEMBL6566550 0.77 IDO1 (0.59) IDO1TSHRTDP1EP300KAT2B
SCHEMBL29362983 0.77 IDO1 (1.00) IDO1ALDH1A1TSHRTDP1EP300
SCHEMBL29638 0.77 IDO1 (1.00) IDO1ALDH1A1TSHRTDP1EP300
SCHEMBL32677325 0.77 IDO1 (1.00) IDO1ALDH1A1TSHRTDP1EP300
SCHEMBL23264379 0.77 CA2 (0.56) IDO1ALDH1A1TSHRTDP1ALOX15

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4533766-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-08-06 — — US claimed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 — — US disclosed
US-20230313245-A1 Engineered Enzymes and Method for the Synthesis of Diverse Tyrosine Analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-10-05 — — US disclosed
EP-4172160-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-05-03 — — EP disclosed
US-20230132035-A1 Toll-Like Receptor 8 (TLR8)-Specific Antagonists and Methods of Making and Uses Thereof UNIV COLORADO REGENTS (US) 2023-04-27 — — US disclosed
US-20230132035-A1 Toll-Like Receptor 8 (TLR8)-Specific Antagonists and Methods of Making and Uses Thereof UNIV COLORADO REGENTS (US) 2023-04-27 — — US disclosed
CN-115996928-A 1' -cyanonucleoside analogs and uses thereof 吉利德科学公司 2023-04-21 — — CN disclosed
US-20230040586-A1 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-20220389021-A1 INHIBITORS OF KRAS G12C BEONE MEDICINES I GMBH (CH) 2022-12-08 — — US disclosed
WO-2021262826-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
US-4533766-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-08-06 — — US disclosed
US-4387252-A HYDROXYLATION OF PHENOLS WITH PERACID COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1983-06-07 — — US disclosed
EP-0027593-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC PHENOLS BAYER AG (DE) 1983-05-25 — — EP disclosed
US-4324925-A Process for the preparation of polyhydric phenols BAYER AKTIENGESELLSCHAFT (DE) 1982-04-13 — — US disclosed
EP-0027593-A1 Process for the preparation of polyhydric phenols BAYER AG (DE) 1981-04-29 — — EP disclosed
EP-0022533-A1 Process for the preparation of polyvalent phenols BAYER AG (DE) 1981-01-21 — — EP disclosed
US-4182918-A Process for the preparation of polyhydric phenols BAYER AKTIENGESELLSCHAFT (DE) 1980-01-08 — — US disclosed
US-4174460-A Process for the hydroxylation of phenols and phenol ethers in the nucleus BAYER AKTIENGESELLSCHAFT (DE) 1979-11-13 — — US disclosed
US-4077962-A WATER INSOLUBLE, GREEN-YELLOW, SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 — — US disclosed
US-4045496-A Process for the hydroxylation of phenols and phenol ethers in the nucleus BAYER AKTIENGESELLSCHAFT (DT) 1977-08-30 — — 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 (4 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-20230132035-A1 Toll-Like Receptor 8 (TLR8)-Specific Antagonists and Methods of Making and Uses Thereof TLR8, TLR3, TLR9 IDO1 894/4885ALDH1A1 4565/4885TSHR 500/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS IDO1 1773/4885ALDH1A1 3193/4885TSHR 2616/4885
US-20230040586-A1 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF TYMP, PNP, DUT IDO1 1618/4885ALDH1A1 1269/4885TSHR 4786/4885
US-20220389021-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS IDO1 4566/4885ALDH1A1 3777/4885TSHR 3765/4885

“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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