Sugi Predict

Sugi Predict / Compounds / SCHEMBL9340223

SCHEMBL9340223

SCHEMBL9340223

CC(C)Cc1ccc(CCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ PTGS1 P23219 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ AKR1C3 P42330 2/20 0.46
▸ CXCR1 P25024 2/20 0.46
▸ CXCR2 P25025 2/20 0.46
▸ ALB P02768 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ RARB P10826 1/20 0.46
▸ ADRB3 P13945 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ NR1I3 Q14994 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ CXCL8 P10145 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL9381915 0.94 CYP4A11 (0.49) PTGS2CYP4A11PTGS1LMNACYP2C9
SCHEMBL9441031 0.92 CA2 (0.49) PTGS2CYP4A11PTGS1LMNACYP2C9
SCHEMBL9441117 0.92 CA2 (0.49) PTGS2CYP4A11PTGS1LMNACYP2C9
SCHEMBL9166013 0.92 CA2 (0.49) PTGS2CYP4A11PTGS1LMNACYP2C9
SCHEMBL1977984 0.86 PTGS2 (0.58) PTGS2CYP4A11PTGS1LMNACYP2C9
SCHEMBL16945715 0.83 CYP4A11 (0.47) CYP4A11LMNACA2
SCHEMBL9161078 0.82 LMNA (0.46) PTGS2CYP4A11PTGS1LMNACYP2C9
SCHEMBL547884 0.82 ESR1 (0.60) PTGS2CYP4A11PTGS1LMNACYP2C9
SCHEMBL9176049 0.81 PTGS1 (0.50) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL239040 0.81 CA2 (0.60) PTGS2CYP4A11PTGS1LMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598750-A1 INDOLES Pfizer Limited (GB) 1994-06-01 — — EP claimed
EP-3581554-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-04-20 — — EP disclosed
EP-3581554-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-04-20 — — EP disclosed
EP-3912620-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS PACIFIC NORTHWEST RESEARCH INSTITUTE (US) 2021-11-24 — — EP disclosed
EP-3204120-B1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS PACIFIC NORTHWEST RES INSTITUTE (US) 2021-05-26 — — EP disclosed
US-20200338036-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS PACIFIC NORTHWEST RESEARCH INSTITUTE 2020-10-29 — — US disclosed
US-10751317-B2 Methods and compositions for increasing the potency of antifungal agents PACIFIC NORTHWEST RESEARCH INSTITUTE (US) 2020-08-25 — — US disclosed
US-10544179-B2 Organic compounds GIVAUDAN S.A. (CH) 2020-01-28 — — US disclosed
US-10457891-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-10-29 — — US disclosed
US-10457891-B2 Organic compounds GIVAUDAN S.A. (CH) 2019-10-29 — — US disclosed
WO-2014180952-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-11-13 — — WO disclosed
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 — — US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 — — US disclosed
US-8741875-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-06-03 — — US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 — — US disclosed
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 — — EP disclosed
EP-0598750-A1 INDOLES Pfizer Limited (GB) 1994-06-01 — — EP disclosed
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 — — WO disclosed
CN-1050373-A Preparation optically-active 2-aryl-alkanoic, the particularly method of 2-arylpropionic acid PUETTER MEDICE CHEM PHARM (DE) 1991-04-03 — — CN disclosed
US-4435591-A 2-(4-ISOBUTYLPHENYL)-1-PROPANOL-3,4,5-TRIMETHOXY-BENZOATE AUSONIA FARMACEUTICI S.R.L. (IT) 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-10751317-B2 Methods and compositions for increasing the potency of antifungal agents ERG28, DPM1, CYP51A1 PTGS2 4307/4885CYP4A11 196/4885PTGS1 4306/4885
US-20200338036-A1 METHODS AND COMPOSITIONS FOR INCREASING THE POTENCY OF ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 PTGS2 4307/4885CYP4A11 196/4885PTGS1 4306/4885
US-10544179-B2 Organic compounds SOST, TST, MPST PTGS2 2809/4885CYP4A11 1672/4885PTGS1 3185/4885
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 PTGS2 2422/4885CYP4A11 2667/4885PTGS1 1851/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 PTGS2 2422/4885CYP4A11 2667/4885PTGS1 1851/4885
US-10457891-B2 Organic compounds AOX1, TYR, ALK PTGS2 1434/4885CYP4A11 1542/4885PTGS1 1076/4885

“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.