Sugi Predict

Sugi Predict / Compounds / SCHEMBL498283

SCHEMBL498283

SCHEMBL498283

Cc1ccccc1COc1ccc(C=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.60
▸ KDM4E B2RXH2 2/20 0.56
▸ CDK4 P11802 2/20 0.56
▸ CCND1 P24385 2/20 0.56
▸ CCNB2 O95067 1/20 0.56
▸ CDK1 P06493 1/20 0.56
▸ CCNB1 P14635 1/20 0.56
▸ CCNB3 Q8WWL7 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ RAB9A P51151 2/20 0.53
▸ KMT2A Q03164 2/20 0.49
▸ ACHE P22303 1/20 0.49
▸ FFAR1 O14842 3/20 0.48
▸ S1PR1 P21453 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL14554283 0.83 MAOB (0.56) MAOBKDM4ECDK4CCND1CCNB2
SCHEMBL12517230 0.83 CDK4 (0.75) MAOBKDM4ECDK4CCND1CCNB2
SCHEMBL7971738 0.82 RAB9A (0.55) MAOBKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL12578021 0.81 FFAR1 (0.61) MAOBKDM4ECDK4CCND1CCNB2
SCHEMBL3970712 0.81 RAB9A (0.47) MAOBKDM4ECDK4CCND1CCNB2
SCHEMBL15009057 0.81 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL10452980 0.80 MAOB (0.65) MAOBKDM4ECDK4CCND1CCNB2
SCHEMBL15774723 0.80 ALDH1A1 (0.59) MAOBKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL8422956 0.80 NR4A2 (0.60) MAOBKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL2168244 0.80 TSHR (0.60) MAOBKDM4EALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 — — US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 — — US disclosed
EP-2925751-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. Hoffmann-La Roche AG (CH) 2015-10-07 — — EP disclosed
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 — — EP disclosed
WO-2014086704-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 — — US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 — — US disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 — — US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 — — EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 — — US disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 — — US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 — — EP disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 — — EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 — — WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 — — WO disclosed
US-5290799-A 7-oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1994-03-01 — — US disclosed
US-5238951-A Thromboxane receptor antagonist E. R. SQUIBB & SONS, INC. (US) 1993-08-24 — — US disclosed
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 — — 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 (5 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-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) SCD, SCD5, CPT1A MAOB 3277/4885KDM4E 797/4885CDK4 1095/4885
US-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 MAOB 2932/4885KDM4E 4469/4885CDK4 4247/4885
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B MAOB 777/4885KDM4E 3172/4885CDK4 4584/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAOB 773/4885KDM4E 3267/4885CDK4 4690/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 MAOB 1668/4885KDM4E 4134/4885CDK4 4017/4885

“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.