Sugi Predict

Sugi Predict / Compounds / SCHEMBL1826164

SCHEMBL1826164

SCHEMBL1826164

c1ccc(CCc2cccc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CYP2D6 P10635 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ GPR84 Q9NQS5 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ MCL1 Q07820 2/20 0.47
▸ DAO P14920 1/20 0.47
▸ MTNR1A P48039 1/20 0.47

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
Diphenylamine SCHEMBL10425096 0.89 ALDH1A1 (0.50) CYP1A2CYP2C19CYP2C9TDP1CYP2D6
SCHEMBL3047898 0.89 CYP1A2 (0.62) CYP1A2CYP2C19CYP2C9TDP1CYP2D6
SCHEMBL4948339 0.88 GPR84 (0.59) CYP1A2CYP2C19CYP2C9TDP1CYP2D6
SCHEMBL652141 0.88 GPR84 (0.64) CYP1A2CYP2C19CYP2C9TDP1CYP2D6
SCHEMBL9301480 0.86 GPR84 (0.58) CYP1A2CYP2C19CYP2C9TDP1CYP2D6
SCHEMBL8935957 0.86 GPR84 (0.58) CYP1A2CYP2C19CYP2C9TDP1CYP2D6
SCHEMBL7624046 0.86 SIGMAR1 (0.48) CYP1A2CYP2C19CYP2C9TDP1CYP2D6
SCHEMBL5831439 0.84 AKR1B1 (0.47) CYP1A2CYP2C19CYP2C9TDP1CYP2D6
SCHEMBL10536871 0.84 MAOB (0.55) CYP1A2CYP2C19CYP2C9CYP2D6HPGD
SCHEMBL7069796 0.84 AKR1B1 (0.47) CYP1A2CYP2C19CYP2C9TDP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414398-B Compound, active energy ray-curable composition, cured product thereof, printing ink, and ink for inkjet recording DIC株式会社 2019-04-05 — — CN claimed
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 — — US claimed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 — — EP claimed
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 — — US claimed
US-20060122390-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-06-08 — — US claimed
EP-1171222-B1 PROCESS FOR REMOVING HYDROGEN SULFIDE FROM GASES CRYSTATECH INC (US) 2004-09-01 — — EP claimed
US-6747150-B2 FOR REDUCING RATE OF DEGRADATION OF PROTEINS IN AN ANIMAL; INHIBITING HIV REPLICATION MILLENNIUM PHARMACEUTICALS, INC. 2004-06-08 — — US claimed
US-6617317-B1 Reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. 2003-09-09 — — US claimed
EP-0788360-B1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2003-05-28 — — EP claimed
US-6465433-B1 SUCH AS N-(2-PYRIDINE)CARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID; PROTEASOME INHIBITORS; REDUCING RATE OF MUSCLE PROTEIN DEGRADATION MILLENNIUM PHARMACEUTICALS, INC. 2002-10-15 — — US claimed
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 — — US claimed
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 — — US claimed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 — — EP claimed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 — — EP claimed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 — — WO claimed
EP-0387196-B1 Complexes with optically active ligands, process for their preparation and their use CIBA GEIGY AG (CH) 1995-05-03 — — EP claimed
EP-0246506-A2 Fluid composition, process for preparation thereof and its use as an electric insulating oil IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-11-25 — — EP claimed
US-4275253-A X OR B-BENZYL METHYLNAPHTHALENES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-06-23 — — US claimed
CN-115772058-B Reduction method of aromatic internal olefins 南通大学 2024-08-16 — — CN disclosed
US-3846331-A SOLVENT COMPOSITION FOR DYES FOR USE IN PRESSURE-SENSITIVE COPYING PAPER KUREHA CHEMICAL IND CO LTD 1974-11-05 — — 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 (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-20060122390-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B CYP1A2 4600/4885CYP2C19 4627/4885CYP2C9 4286/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CYP1A2 4600/4885CYP2C19 4627/4885CYP2C9 4286/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B CYP1A2 4600/4885CYP2C19 4627/4885CYP2C9 4286/4885

“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.