Sugi Predict

Sugi Predict / Compounds / SCHEMBL5883049

SCHEMBL5883049

SCHEMBL5883049

COc1cc(C)cc(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP2A6 P11509 2/20 0.50
▸ CYP1A1 P04798 3/20 0.48
▸ CYP1B1 Q16678 3/20 0.48
▸ ESR1 P03372 2/20 0.41
▸ NQO2 P16083 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ TUBA1B P68363 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
SCHEMBL29951799 1.00 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A1CYP1B1ESR1
SCHEMBL1663786 0.86 ALDH1A1 (0.58) ALDH1A1CYP2A6CYP1A1CYP1B1ESR1
SCHEMBL228003 0.86 CYP1A1 (0.64) ALDH1A1CYP2A6CYP1A1CYP1B1ESR1
Water SCHEMBL28227114 0.84 CYP1A1 (0.61) ALDH1A1CYP2A6CYP1A1CYP1B1ESR1
Formic Acid Methyl Ester SCHEMBL28071788 0.80 CYP1A1 (0.56) ALDH1A1CYP2A6CYP1A1CYP1B1ESR1
SCHEMBL16362233 0.80 CYP1A1 (0.77) CYP1A1CYP1B1ESR1NQO2CYP1A2
SCHEMBL16958243 0.78 CYP1A1 (0.48) ALDH1A1CYP1A1CYP1B1ESR1NQO2
SCHEMBL378297 0.78 CYP1A1 (0.58) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2
SCHEMBL31618743 0.78 CYP1A1 (0.48) ALDH1A1CYP1A1CYP1B1ESR1NQO2
SCHEMBL29958196 0.78 CYP1A1 (0.58) ALDH1A1CYP2A6CYP1A1CYP1B1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626891-A1 FUSED PYRIMIDINES AS MASP-2 INHIBITORS Omeros Corporation (US) 2025-10-08 — — EP disclosed
WO-2024183807-A1 ARYL FUSED IMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 哈尔滨三联药业股份有限公司 2024-09-12 — — WO disclosed
CN-118619885-A Arylimidazole compound and medical application thereof 哈尔滨三联药业股份有限公司 2024-09-10 — — CN disclosed
US-20240228499-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2024-07-11 — — US disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
WO-2024118840-A1 FUSED PYRIMIDINES AS MASP-2 INHIBITORS OMEROS CORPORATION (US) 2024-06-06 — — WO disclosed
US-11986471-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-05-21 — — US disclosed
US-20230060499-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-03-02 — — US disclosed
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-07 — — US disclosed
US-11077101-B1 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2021-08-03 — — US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 — — US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 — — US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 — — US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — WO disclosed
WO-1995019761-A1 NOVEL ALKYL INDANE ALDEHYDE COMPOUNDS UNION CAMP CORPORATION (US) 1995-07-27 — — WO disclosed
US-5403823-A Fragrant musk-like aroma UNION CAMP CORPORATION (US) 1995-04-04 — — US disclosed
WO-1995000113-A1 NOVEL FORMATE ESTER INDANE COMPOUNDS UNION CAMP CORPORATION (US) 1995-01-05 — — WO disclosed
US-5292720-A Formate ester indane compounds UNION CAMP CORPORATION (US) 1994-03-08 — — US disclosed
US-4444567-A ALKOXY BENZALDEHYDES, ALKOXY BENZOATES PHILLIPS PETROLEUM COMPANY (US) 1984-04-24 — — 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-20240228499-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, SPINT2, SERPINB1 ALDH1A1 4721/4885CYP2A6 4244/4885CYP1A1 4187/4885
US-11986471-B2 Compounds and methods of use XDH, F12, LPXN ALDH1A1 223/4885CYP2A6 94/4885CYP1A1 16/4885
US-11077101-B1 Compounds and methods of use XDH, F12, LPXN ALDH1A1 223/4885CYP2A6 94/4885CYP1A1 16/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885CYP2A6 3857/4885CYP1A1 2442/4885
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALDH1A1 905/4885CYP2A6 3929/4885CYP1A1 3475/4885
US-20230060499-A1 COMPOUNDS AND METHODS OF USE XDH, F12, LPXN ALDH1A1 223/4885CYP2A6 94/4885CYP1A1 16/4885

“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.