SCHEMBL29608

SCHEMBL29608

CCN(CC)CCOCC(O)c1ccc2sccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
RAD52 P43351 1/20 0.34
ADRB3 P13945 1/20 0.34
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2A6 P11509 1/20 0.33
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31

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
SCHEMBL9309462 1.00 KDM4E (0.34) KDM4ECYP1A2CYP2D6RAD52ADRB3
SCHEMBL9308713 1.00 KDM4E (0.34) KDM4ECYP1A2CYP2D6RAD52ADRB3
Hydrochloric Acid SCHEMBL3088634 0.99 SMN1; SMN2 (0.34) KDM4ECYP1A2CYP2D6RAD52ADRB3
Hydrochloric Acid SCHEMBL28265 0.99 SMN1; SMN2 (0.34) KDM4ECYP1A2CYP2D6RAD52ADRB3
Hydrochloric Acid SCHEMBL195167 0.98 KDM4E (0.33) KDM4ECYP1A2CYP2D6RAD52ADRB3
SCHEMBL15562859 0.88 ADRB3 (0.35) CYP1A2CYP2D6ADRB3CA12CA2
SCHEMBL9308678 0.88 ADRB3 (0.35) CYP1A2CYP2D6ADRB3CA12CA2
Hydrochloric Acid SCHEMBL3083869 0.86 ADRB3 (0.35) KDM4ECYP2D6ADRB3CA12CA2
Hydrochloric Acid SCHEMBL29377696 0.86 ADRB3 (0.35) KDM4ECYP2D6ADRB3CA12CA2
Hydrochloric Acid SCHEMBL3083871 0.86 ADRB3 (0.35) KDM4ECYP2D6ADRB3CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565965-B1 Benzo b thiophen-5-yl derivative and process for producing the same TOYAMA CHEMICAL CO LTD (JP) 1996-11-13 EP claimed
US-5380878-A Benzo[b]thiophen-5-yl derivative and process for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 1995-01-10 US claimed
EP-0383281-B1 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO LTD (JP) 1994-08-17 EP claimed
US-5280032-A 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-01-18 US claimed
EP-0565965-A2 Benzo b thiophen-5-yl derivative and process for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 1993-10-20 EP claimed
EP-2389937-A1 Medicinal composition for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-30 EP disclosed
US-8038956-B2 Catalyzed soot filter manufacture and systems BASF CORPORATION (US) 2011-10-18 US disclosed
US-RE42327-E1 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7834053-B2 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080103126-A1 Medicinal compositions improving brain function and method for improving brian function TOYAMA CHEMICAL CO., LTD. (JP) 2008-05-01 US disclosed
US-7342043-B2 synergistic antihypoxic mixture: acetylcholine esterase inhibitor (Donepezil and Tacrine) and neuroprotectant 1-[3-(2-(1-benzothiophen-5-yl)ethoxy)propyl]-3-azetidinol maleate; dysfunction of cerebral acetylcholine neurons in sequelae of cerebrovascular and senile dementia, Alzheimer's disease TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050250843-A1 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2005-11-10 US disclosed
EP-1514542-A1 MEDICINAL COMPOSITIONS IMPROVING BRAIN FUNCTION AND METHOD FOR IMPROVING BRAIN FUNCTION TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-16 EP disclosed
EP-1020427-A1 Agent for potentiating nerve growth factor activity containing 1,2-ethanediol derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2000-07-19 EP disclosed
EP-0565965-B1 Benzo b thiophen-5-yl derivative and process for producing the same TOYAMA CHEMICAL CO LTD (JP) 1996-11-13 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-20050250843-A1 Medicinal compositions improving brain function and method for improving brain function CHRM2, ACHE, CHAT KDM4E 588/4885CYP1A2 1445/4885CYP2D6 3084/4885
US-20080103126-A1 Medicinal compositions improving brain function and method for improving brian function CHRM2, ACHE, CHRM1 KDM4E 1323/4885CYP1A2 1623/4885CYP2D6 3065/4885

“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.