SCHEMBL5541364

SCHEMBL5541364

CC1Cc2cc(O)ccc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
BRD4 O60885 1/20 0.51
CREBBP Q92793 1/20 0.51
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
DPP4 P27487 1/20 0.47
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
PBRM1 Q86U86 1/20 0.44
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL5547664 0.85 BRD4 (0.55) TDP1BRD4CREBBPESR1ESR2
SCHEMBL30513304 0.81 ESR1 (0.61) TDP1BRD4CREBBPESR1ESR2
SCHEMBL3269864 0.81 ESR1 (0.61) TDP1BRD4CREBBPESR1ESR2
SCHEMBL10696856 0.81 TDP1 (0.56) TDP1BRD4CREBBPRAB9ANPC1
SCHEMBL15724650 0.81 TDP1 (0.56) TDP1BRD4CREBBPRAB9ANPC1
SCHEMBL19538034 0.79 DPP4 (0.56) TDP1BRD4CREBBPESR1ESR2
SCHEMBL318360 0.78 TDP1 (0.57) TDP1BRD4CREBBPRAB9ANPC1
SCHEMBL15667344 0.78 TDP1 (0.57) TDP1BRD4CREBBPRAB9ANPC1
SCHEMBL11857232 0.78 ESR2 (0.49) TDP1ESR1ESR2DPP4MAOA
SCHEMBL15667383 0.78 TDP1 (0.57) TDP1BRD4CREBBPRAB9ANPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024170772-A1 EPIGALLOCATECHIN-3-GALLATE (EGCG) ANALOGS FOR USE IN THE TREATMENT OF DISEASES IN WHICH AN INCREASE OF NAD+ IS BENEFICIAL SUCH AS GLAUCOMA MIM NEUROSCIENCES AB (SE) 2024-08-22 WO claimed
WO-2024170772-A1 EPIGALLOCATECHIN-3-GALLATE (EGCG) ANALOGS FOR USE IN THE TREATMENT OF DISEASES IN WHICH AN INCREASE OF NAD+ IS BENEFICIAL SUCH AS GLAUCOMA MIM NEUROSCIENCES AB (SE) 2024-08-22 WO disclosed
CN-109689639-B Spirolactams as ROCK inhibitors 百时美施贵宝公司 2022-02-18 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TDP1 4666/4885BRD4 1012/4885CREBBP 1702/4885

“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.