SCHEMBL7571981

SCHEMBL7571981

c1ccc(COc2ccc(C3SCCCS3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.57
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAB9A P51151 2/20 0.49
MAOA P21397 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LTA4H P09960 1/20 0.47
BCHE P06276 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NR4A1 P22736 1/20 0.45

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
SCHEMBL9778479 0.98 MAOB (0.56) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL9778622 0.94 MAOB (0.59) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL9778453 0.88 MAOB (0.54) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL9778680 0.85 MAOB (0.51) MAOBLMNACYP1A2CYP2C19RAB9A
SCHEMBL9778501 0.85 NPC1 (0.51) MAOBLMNARAB9AMAOALTA4H
SCHEMBL9778819 0.85 MAPT (0.51) MAOBLMNARAB9AMAOAMAPT
SCHEMBL9778518 0.85 RXRA (0.47) MAOBLMNARAB9AMAPTL3MBTL1
SCHEMBL9778533 0.85 APP (0.51) MAOBLMNARAB9AMAPTSMN1; SMN2
SCHEMBL9778594 0.85 MAOB (0.51) MAOBRAB9AMAOAMAPTHRH3
SCHEMBL9778797 0.84 MAOB (0.47) MAOBLMNARAB9AMAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049401-B1 POLYMER-FIXED DERIVATIVES OF DITHIOLANE OR DITHIANE KARLSRUHER INST TECHNOLOGIE (DE) 2018-11-07 EP disclosed
US-9518039-B2 Polymer-fixed derivatives of dithiolane or dithiane KARLSRUHER INSTITUT FUER TECHNOLOGIE (DE) 2016-12-13 US disclosed
US-20160229832-A1 POLYMER-FIXED DERIVATIVES OF DITHIOLANE OR DITHIANE KARLSRUHER INSTITUT FUER TECHNOLOGIE (DE) 2016-08-11 US disclosed
EP-0873992-B1 Indene compounds having activity as SERMs LILLY CO ELI (US) 2002-09-25 EP disclosed
US-5994370-A ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1999-11-30 US disclosed
WO-1998048806-A1 INDENE COMPOUNDS HAVING ACTIVITY AS SERMS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0873992-A1 Indene compounds having activity as SERMs ELI LILLY AND COMPANY (US) 1998-10-28 EP disclosed
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 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-20160229832-A1 POLYMER-FIXED DERIVATIVES OF DITHIOLANE OR DITHIANE TCP1, ALG1, DDAH1 MAOB 2078/4885LMNA 3019/4885CYP1A2 1918/4885

“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.