SCHEMBL24686277

SCHEMBL24686277

O=C(/C=C/c1ccccc1)Oc1ccc(C2SCCCS2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTR1A P08908 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
RAB9A P51151 2/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL29793354 1.00 KMT2A (0.56) KMT2AMAOBMAOASMN1; SMN2HTR1A
SCHEMBL31154557 0.95 KMT2A (0.58) KMT2AMAOBMAOASMN1; SMN2HTR1A
SCHEMBL29793481 0.87 MAPT (0.46) KMT2AMAOBMAOASMN1; SMN2RAB9A
SCHEMBL25412442 0.87 KMT2A (0.44) KMT2AMAOBMAOASMN1; SMN2ESR1
SCHEMBL29793393 0.83 ESR1 (0.42) KMT2AMAOBMAOASMN1; SMN2HTR1A
SCHEMBL24686372 0.83 LMNA (0.42) KMT2AMAOBMAOAHTR1AESR1
SCHEMBL29793383 0.82 LMNA (0.43) KMT2AMAOBMAOASMN1; SMN2HTR1A
SCHEMBL29793432 0.82 ESR1 (0.50) KMT2AMAOBMAOASMN1; SMN2ESR1
SCHEMBL25412467 0.81 TSHR (0.47) KMT2ASMN1; SMN2HTR1ARAB9ALMNA
SCHEMBL25412469 0.81 TSHR (0.47) KMT2ASMN1; SMN2HTR1ARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760743-B2 Acyloxy substituted phenyl dithiane derivatives Renovel Innovations, Inc. 2023-09-19 US disclosed
US-11760743-B2 Acyloxy substituted phenyl dithiane derivatives Renovel Innovations, Inc. 2023-09-19 US disclosed
US-20220235024-A1 ACYLOXY SUBSTITUTED PHENYL DITHIANE DERIVATIVES Renovel Innovations, Inc. 2022-07-28 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 (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-11760743-B2 Acyloxy substituted phenyl dithiane derivatives AADAC, TBXA2R, DECR2 KMT2A 2472/4885MAOB 1311/4885MAOA 1732/4885
US-20220235024-A1 ACYLOXY SUBSTITUTED PHENYL DITHIANE DERIVATIVES AADAC, TBXA2R, DECR2 KMT2A 2472/4885MAOB 1311/4885MAOA 1732/4885

“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.