Sugi Predict

Sugi Predict / Compounds / SCHEMBL384361

SCHEMBL384361

SCHEMBL384361

CC(C)Oc1ccc(C=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 1/20 1.00
▸ ALDH1A1 P00352 4/20 0.58
▸ CYP2A6 P11509 2/20 0.58
▸ DRD1 P21728 1/20 0.57
▸ TYR P14679 1/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ PARP10 Q53GL7 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ STS P08842 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ ERN1 O75460 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL3423566 0.94 ALDH1A3 (0.88) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL4744709 0.94 ALDH1A3 (0.88) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL14016002 0.86 ALDH1A3 (0.76) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL25234306 0.84 ALDH1A3 (0.71) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL10572046 0.83 ALDH1A3 (0.70) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL8727778 0.83 ALDH1A3 (0.70) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL28629587 0.83 ALDH1A3 (0.70) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL1177478 0.83 ALDH1A3 (0.70) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL28432822 0.83 ALDH1A3 (0.70) ALDH1A3ALDH1A1CYP2A6DRD1TYR
SCHEMBL20024678 0.81 ALDH1A3 (0.68) ALDH1A3KMT2ASIRT2PARP10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214360-A Synthetic method of (4-chlorphenyl)-[4-(1-methyl ethyoxyl) phenyl] ketone MAO ZHIYING 2013-07-24 — — CN claimed
US-7994335-B2 Electronically tuned ligands for asymmetric hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-09 — — US claimed
JP-4587669-B2 — — 2010-11-24 — — JP claimed
US-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — US claimed
WO-2008067218-A1 ELECTRONICALLY TUNED LIGANDS FOR ASYMMETRIC HYDROGENATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-05 — — WO claimed
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 — — US claimed
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 — — US claimed
CN-1902172-A N-acylated-3- (benzoyl) - pyrrolidines as 11-beta-hsd1 inhibitors useful for the treatment of metabolic disorders ASTRAZENECA AB (SE) 2007-01-24 — — CN claimed
CN-1901910-A Substituted piperidine compounds for the treatment of metabolic syndrome ASTRAZENECA AB (SE) 2007-01-24 — — CN claimed
EP-1685101-A1 N-ACYLATED-3-(BENZOYL)-PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. AstraZeneca AB (SE) 2006-08-02 — — EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 — — EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 — — EP claimed
US-5872262-A COMPOUNDS AS INHIBITORS OF PLASMEPSIN AND CATHEPSIN PHARMACOPEIA, INC. (US) 1999-02-16 — — US claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
US-5734054-A Hydroxy-amino acid amides PHARMACOPEIA, INC. (US) 1998-03-31 — — US claimed
EP-0598756-B1 ESTER COMPOSITION SHELL INT RESEARCH (NL) 1996-06-05 — — EP claimed
US-4582903-A Synthesis of unsaturated hydantoins with an inexpensive catalyst STAUFFER CHEMICAL COMPANY (US) 1986-04-15 — — US claimed
US-4345072-A Process for the production of 5-arylidene hydantoins (B) DEGUSSA AG (DE) 1982-08-17 — — US claimed

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-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BID, HDHD5, HRH4 ALDH1A3 1040/4885ALDH1A1 2836/4885CYP2A6 1228/4885
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders HSD11B1, HSD3B1, HSD17B1 ALDH1A3 418/4885ALDH1A1 76/4885CYP2A6 162/4885
US-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 ALDH1A3 335/4885ALDH1A1 68/4885CYP2A6 108/4885

“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.