SCHEMBL644117

SCHEMBL644117

C=CCOc1cc(C(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
BLM P54132 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL20395893 0.97 MAPT (0.44) MAPTPOLBSMN1; SMN2NPC1RAB9A
Hydrogen Sulfide SCHEMBL20395882 0.95 MAPT (0.43) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2527989 0.94 CREBBP (0.41) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2525888 0.94 FFAR1 (0.45) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL5228091 0.92 ADRB2 (0.40) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2532297 0.92 ADRB2 (0.40) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL644523 0.92 CA1 (0.43) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL4878299 0.91 KAT6A (0.51) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL642424 0.91 CA12 (0.56) MAPTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2533186 0.90 ADRB2 (0.39) MAPTPOLBSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 US disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
WO-2017093157-A1 PIPERIDINE, PYRROLIDINE AND 2-OXO-1,3-OXAZINANE DERIVATIVES AS INHIBITORS OF BACTERIAL EFFLUX-PUMPS FOR THE TREATMENT OF MICROBIAL INFECTIONS BASILEA PHARMACEUTICA AG (CH) 2017-06-08 WO disclosed
WO-2017042099-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2017-03-16 WO disclosed
CN-102958912-B Benzohydrol derivatives, a preparation process and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2015-01-14 CN disclosed
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
CN-102958912-A Benzohydrol derivatives, a preparation process and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2013-03-06 CN disclosed
EP-2010520-B1 HETEROBICYCLIC AMIDES FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PROD INC (US) 2012-09-12 EP disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
CN-1319198-A Liquid crystal aligning agent, liquid crystal cell using the same, and method for aligning liquid crystal NISSAN CHEMICAL IND LTD (JP) 2001-10-24 CN disclosed
EP-1111442-A1 TREATING AGENT FOR LIQUID CRYSTAL ALIGNMENT LAYER AND LIQUID CRYSTAL DEVICE USING THE SAME, AND METHOD FOR ALIGNMENT OF LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2001-06-27 EP disclosed
US-4975490-A Phthalic acid ester-modified organopolysiloxane and method for its preparation TORAY SILICONE COMPANY, LTD. (JP) 1990-12-04 US disclosed
US-4924020-A Phthalic acid ester-modified organopolysiloxane and method for its preparation TORAY SILICON COMPANY, LTD. (JP) 1990-05-08 US disclosed
EP-0316915-A2 Phthalic acid ester-modified organopolysiloxane and method for its preparation TORAY SILICONE COMPANY, LIMITED (JP) 1989-05-24 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 (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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 MAPT 1537/4885POLB 3329/4885SMN1; SMN2 2067/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPT 659/4885POLB 3928/4885SMN1; SMN2 1279/4885
US-11999716-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 MAPT 1526/4885POLB 3319/4885SMN1; SMN2 2023/4885

“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.