SCHEMBL3246397

SCHEMBL3246397

CC(=O)Oc1[c]c2ccccc2cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
PTGS2 P35354 3/20 0.37
BLM P54132 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
ELANE P08246 1/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
TSHR P16473 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
BACE1 P56817 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL18112552 0.79 MEN1 (0.38) KDM4EALDH1A1HSD17B10TDP1HPGD
SCHEMBL22982229 0.78
SCHEMBL64917 0.75 CYP1A2 (0.40) KDM4EALDH1A1MAPTPOLBMAPK1
SCHEMBL5227738 0.75 CYP1A2 (0.40) KDM4EALDH1A1MAPTPOLBMAPK1
SCHEMBL8533924 0.75
SCHEMBL3237917 0.75 CA1 (0.30)
SCHEMBL3307482 0.75 MTNR1A (0.32) ALDH1A1BLMTSHRMAPT
SCHEMBL1451151 0.74 HSD17B10 (0.46) KDM4EALDH1A1HSD17B10PTGS2BLM
SCHEMBL20524986 0.74 CYP2A6 (0.32) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL6553858 0.72 SMN1; SMN2 (0.42) KDM4EALDH1A1PTGS2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US claimed
US-20050191567-A1 Oxime ester photoinitiators KUNIMOTO KAZUHIKO (JP) 2005-09-01 US claimed
US-20040116703-A1 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S 2004-06-17 US claimed
EP-1133494-B1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH AS (DK) 2004-02-18 EP claimed
US-6680328-B2 CHOLINERGIC LIGANDS OF NICOTINIC ACETYL CHOLINE RECEPTORS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, SMOOTH MUSCLE CONTRACTION DISORDERS, ENDOCRINE DISEASES/DISORDERS, NEURODEGENERATION, INFLAMMATION, PAIN, AND DRUG WITHDRAWAL NEUROSEARCH A/S (DK) 2004-01-20 US claimed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US claimed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP claimed
US-20010012596-A1 For resist applications; thermostability, storage stability CIBA SPECIALTY CHEMICALS CORP. 2001-08-09 US claimed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 WO claimed
CN-115943147-A N-linked macrocyclic 7- (pyrazol-5-yl) -indole derivatives as MCL-1 inhibitors 詹森药业有限公司 2023-04-07 CN disclosed
US-20190315734-A1 PURIFICATION METHOD FOR 5-(THIAZOL-4-YL)INDOLIN-2-ONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-10-17 US disclosed
US-10377749-B2 Purification method for 5-(thiazol-4-yl)indolin-2-one derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-08-13 US disclosed
US-8420396-B2 For delivering DNA/RNA into cells SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-04-16 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP disclosed
US-20010012596-A1 For resist applications; thermostability, storage stability CIBA SPECIALTY CHEMICALS CORP. 2001-08-09 US disclosed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 WO disclosed
US-4918046-A DISULFONATES AND COLORLESS OR LIGHT-COLORED COLORING MATERIAL; DISCOLORATION INHIBITION ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1990-04-17 US disclosed
US-4147806-A Anti-inflammatory and analgesic medicaments LABORATOIRES CREAT (FR) 1979-04-03 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 (4 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-10377749-B2 Purification method for 5-(thiazol-4-yl)indolin-2-one derivative HRH4, CHRM2, CHRM1 KDM4E 3919/4885ALDH1A1 743/4885HSD17B10 898/4885
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives CHRNA2, CHRNA7, CHRNA10 KDM4E 631/4885ALDH1A1 1594/4885HSD17B10 1494/4885
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 KDM4E 2286/4885ALDH1A1 834/4885HSD17B10 1267/4885
US-20190315734-A1 PURIFICATION METHOD FOR 5-(THIAZOL-4-YL)INDOLIN-2-ONE DERIVATIVE HRH4, CHRM2, CHRM1 KDM4E 3919/4885ALDH1A1 743/4885HSD17B10 898/4885

“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.