Sugi Predict

Sugi Predict / Compounds / SCHEMBL132968

SCHEMBL132968

SCHEMBL132968

CC(=O)Oc1ccc(C(C)(C)C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ CFD P00746 2/20 0.43
▸ VDR P11473 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL9338985 0.89 ESR1 (0.47) KDM4EALDH1A1CYP2C19USP2HPGD
SCHEMBL11599009 0.87 ACHE (0.56) MRGPRX4KDM4EALDH1A1CYP2C19USP2
SCHEMBL17953132 0.87 KDM4E (0.55) KDM4EALDH1A1CYP2C19USP2HPGD
SCHEMBL15887460 0.87 MRGPRX4 (0.48) MRGPRX4KDM4EALDH1A1CYP2C19HPGD
SCHEMBL14570628 0.84 KMT2A (0.49) KDM4EALDH1A1CYP2C19USP2HPGD
SCHEMBL11229207 0.84 APEX1 (0.50) KDM4EALDH1A1CYP2C19USP2HPGD
SCHEMBL2608608 0.83 TSHR (0.47) KDM4EALDH1A1CYP2C19USP2HPGD
SCHEMBL16775318 0.82 MAPT (0.41) KDM4EALDH1A1CYP2C19USP2HPGD
SCHEMBL15887456 0.82 MAPT (0.41) KDM4EALDH1A1CYP2C19USP2HPGD
SCHEMBL15043711 0.82 ALDH1A1 (0.50) KDM4EALDH1A1CYP2C19USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365598-B Container for personal health compositions 宝洁公司 2024-08-30 — — CN disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 — — US disclosed
CN-110088041-B Stannous compatible silica 赢创运营有限公司 2023-03-28 — — CN disclosed
CN-111032003-B Cooling and flavor enhancing compositions 弗门尼舍有限公司 2023-03-17 — — CN disclosed
CN-115701972-A Compositions comprising zinc and an antimicrobial agent 联合利华知识产权控股有限公司 2023-02-14 — — CN disclosed
CN-110123669-B Oral composition containing metal ions 高露洁-棕榄公司 2022-06-03 — — CN disclosed
CN-113365598-A Container for personal health composition 宝洁公司 2021-09-07 — — CN disclosed
CN-112515987-A Oral care compositions with adducts of clay and antibacterial agent 荷兰联合利华有限公司 2021-03-19 — — CN disclosed
CN-106102477-B Compositions with reduced bitter taste perception 宝洁公司 2020-03-17 — — CN disclosed
CN-106470737-B Oral compositions containing zinc ion source, stannous ion source and fluoride ion source 高露洁-棕榄公司 2020-02-14 — — CN disclosed
US-9974800-B2 Therapy for inhibition of single-stranded RNA virus replication REDHILL BIOPHARMA LTD. (IL) 2018-05-22 — — US disclosed
US-20180125831-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD (IL) 2018-05-10 — — US disclosed
US-9844540-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2017-12-19 — — US disclosed
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD. (IL) 2017-04-06 — — US disclosed
US-20160113954-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION REDHILL BIOPHARMA LTD. (IL) 2016-04-28 — — US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 — — US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 — — US disclosed
US-20120058966-A1 Sphingosine Kinase Inhibitor Prodrugs APOGEE BIOTECHNOLOGY CORPORATION (US) 2012-03-08 — — US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 — — US disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 — — 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 (6 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-20160113954-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION RNMT, EIF2AK2, POLRMT MRGPRX4 2863/4885KDM4E 2814/4885ALDH1A1 3057/4885
US-20180125831-A1 COMBINATION THERAPIES FOR TREATING CANCER TPMT, KRAS, ACE MRGPRX4 3227/4885KDM4E 376/4885ALDH1A1 66/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 MRGPRX4 2171/4885KDM4E 2931/4885ALDH1A1 3664/4885
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER KRAS, ACE, TPMT MRGPRX4 3057/4885KDM4E 293/4885ALDH1A1 78/4885
US-20120058966-A1 Sphingosine Kinase Inhibitor Prodrugs SPHK1, SPHK2, S1PR1 MRGPRX4 2238/4885KDM4E 2445/4885ALDH1A1 2021/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 MRGPRX4 4289/4885KDM4E 1058/4885ALDH1A1 1604/4885

“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.