Sugi Predict

Sugi Predict / Compounds / SCHEMBL3147889

SCHEMBL3147889

SCHEMBL3147889

COCCOCc1c(C)cccc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 3/20 0.34
▸ TSHR P16473 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CA2 P00918 2/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ SGMS2 Q8NHU3 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL22380056 0.87 ACHE (0.38) ALDH1A1HPGDKDM4ECA2ACHE
SCHEMBL26653906 0.84 GABRA1 (0.42) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL865078 0.82 CYP1A2 (0.41) SLC22A12TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL16996802 0.81 CA2 (0.30) CA2
SCHEMBL8750400 0.80 CYP1A2 (0.39) SLC22A12TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL21518167 0.79 TAAR1 (0.38) SLC22A12TSHRCYP1A2CYP3A4CYP2D6
O-Xylene SCHEMBL9375721 0.78 TSHR (0.50) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
O-Xylene SCHEMBL5353236 0.78 TSHR (0.50) TSHRCYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL12595154 0.78 L3MBTL1 (0.35) ALDH1A1HPGDKDM4E
SCHEMBL12595155 0.78 L3MBTL1 (0.35) ALDH1A1HPGDKDM4E

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-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. (KR) 2023-11-16 — — US disclosed
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2023-10-31 — — US disclosed
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 — — EP disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 — — US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 — — US disclosed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 — — 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-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT SLC22A12 1417/4885TSHR 4276/4885CYP1A2 2916/4885
US-20080242859-A1 Oxymethyl Boron Compounds BPGM, DDT, DBN1 SLC22A12 3549/4885TSHR 3597/4885CYP1A2 676/4885
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders SMN1; SMN2, SNCA, HTT SLC22A12 1417/4885TSHR 4276/4885CYP1A2 2916/4885

“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.