Sugi Predict

Sugi Predict / Compounds / SCHEMBL4602856

SCHEMBL4602856

SCHEMBL4602856

CCOc1ccc(C2CCC(=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.56
▸ ESR2 Q92731 3/20 0.53
▸ NQO1 P15559 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CRBN Q96SW2 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
SCHEMBL7002551 0.90 HRH3 (0.47) HRH3ESR2NQO1LMNAMAOA
SCHEMBL13195338 0.87 HRH3 (0.64) HRH3ESR2LMNAMAOAMAOB
SCHEMBL9586183 0.85 NQO1 (0.61) HRH3NQO1MAOAMAOBRAB9A
SCHEMBL7779402 0.83 NQO1 (0.45) HRH3NQO1LMNAMAOAMAOB
SCHEMBL31019748 0.83 HRH3 (0.53) HRH3ESR2RAB9AMAPK1SMN1; SMN2
SCHEMBL1506570 0.80 ESR2 (0.58) HRH3ESR2MAOAMAOBNPC1
SCHEMBL12960814 0.80 HRH3 (0.55) HRH3NQO1LMNANPC1RAB9A
SCHEMBL4083651 0.80 HRH3 (0.64) HRH3ESR2LMNANPC1RAB9A
SCHEMBL4361161 0.80 HRH3 (0.60) HRH3ESR2LMNARAB9AMAPT
SCHEMBL7779567 0.80 MAOA (0.44) HRH3NQO1LMNAMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912620-B Tetrahydrobenzo [4,5] thieno [2,3-d ] pyrimidine compound and application thereof 沈阳药科大学 2021-07-09 — — CN disclosed
CN-112811995-A Synthesis method of 4-substituent cyclohexanone liquid crystal intermediate 惠泽化学科技(濮阳)有限公司 2021-05-18 — — CN disclosed
CN-109912620-A Tetrahydro benzo [4,5] thieno [2,3-d] pyrimidines and its application 沈阳药科大学 2019-06-21 — — CN disclosed
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 — — US disclosed
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 — — US disclosed
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 — — US disclosed
EP-1272516-B1 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2008-04-23 — — EP disclosed
EP-1272516-B1 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2008-04-23 — — EP disclosed
EP-1315750-B1 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2007-02-14 — — EP disclosed
EP-1315750-B1 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2007-02-14 — — EP disclosed
WO-2002018437-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 — — WO disclosed
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity HOFFMANN-LA ROCHE INC. 2001-12-27 — — US disclosed
WO-2001074844-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2001-10-11 — — WO disclosed
EP-0637623-B1 Cyclic hydrocarbon derivative and liquid crystal composition containing the same DAINIPPON INK & CHEMICALS (JP) 2001-10-04 — — EP disclosed
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 — — US disclosed
US-5536443-A DUTERIUM CONTAINING COMPOUNDS FOOR ELECTROOPTICAL APPARATUS DAINIPPON INK & CHEMICALS, INC. (JP) 1996-07-16 — — US disclosed
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 — — EP disclosed
US-5474707-A Electrooptic display DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-12-12 — — US disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 — — WO disclosed
EP-0637623-A1 Cyclic hydrocarbon derivative and liquid crystal composition containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-02-08 — — EP 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 (2 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-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity MC4R, MC3R, MC1R HRH3 494/4885ESR2 1159/4885NQO1 4712/4885
US-20010056179-A1 Selective linear peptides with melanocortin-4 receptor (MC4-R) agonist activity MC4R, MC3R, MC1R HRH3 495/4885ESR2 1169/4885NQO1 4699/4885

“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.