SCHEMBL30488775

SCHEMBL30488775

O=C(O)C1(O)c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ APEX1 P27695 1/20 0.48
▸ PDK2 Q15119 9/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ BACE1 P56817 1/20 0.41

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
SCHEMBL11469925 1.00 THRB (1.00) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL66735 1.00 THRB (1.00) THRBTDP1APEX1PDK2ALDH1A1
Bromide SCHEMBL27743796 0.98 THRB (0.95) THRBTDP1APEX1PDK2ALDH1A1
Methyl Alcohol SCHEMBL21134117 0.96 THRB (0.91) THRBTDP1APEX1PDK2ALDH1A1
Bromomethane SCHEMBL208217 0.94 THRB (0.88) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL28937357 0.92 THRB (0.84) THRBTDP1APEX1PDK2ALDH1A1
Dimethylamine SCHEMBL10338435 0.92 THRB (0.84) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL14973506 0.87 TDP1 (0.77) THRBTDP1APEX1ALDH1A1HSP90AA1
Propanol SCHEMBL27824437 0.85 THRB (0.72) THRBTDP1APEX1PDK2CHRM2
SCHEMBL1101030 0.85 THRB (0.73) THRBTDP1APEX1PDK2ALDH1A1

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-12209094-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2025-01-28 — — US disclosed
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-04-04 — — US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 — — US disclosed
CN-110770232-B Herbicidal 3-phenylisoxazoline-5-carboxamides of tetrahydro-and dihydrofuran carboxylic acids and esters 拜耳公司 2023-08-15 — — CN disclosed
EP-4065564-B1 [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS BAYER AG (DE) 2023-07-26 — — 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 (3 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-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885APEX1 3837/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885APEX1 3837/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885APEX1 3837/4885

“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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