SCHEMBL2871925

SCHEMBL2871925

O=C(O)C(CCS)CCS

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.76
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CPB2 Q96IY4 3/20 0.46
ENPEP Q07075 2/20 0.42
ANPEP P15144 1/20 0.42
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
CPN1 P15169 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
SCHEMBL3517283 0.89 FOLH1 (0.72) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2872014 0.88
SCHEMBL3515562 0.87 FOLH1 (0.73) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2058227 0.87 FOLH1 (1.00) FOLH1ENPEPANPEP
SCHEMBL19692362 0.87 FOLH1 (0.61) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL16061483 0.87 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL16062298 0.87 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2871927 0.87 CHRM1 (0.76) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28475733 0.86 FOLH1 (0.62) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3517925 0.85 FOLH1 (0.74) FOLH1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP claimed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 US claimed
EP-1570835-A1 Composition for the permanent deformatioh of the hair comprising at least one carboxydithiol L'OREAL (FR) 2005-09-07 EP claimed
US-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS CHEMTURA CORPORATION (US) 2010-07-29 US disclosed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 US disclosed
EP-1570835-A1 Composition for the permanent deformatioh of the hair comprising at least one carboxydithiol L'OREAL (FR) 2005-09-07 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-20100190902-A1 ALKYLTIN SULFANYL ESTER THIOLS SULT1E1, SULT1A1, TST FOLH1 4882/4885CHRM1 2348/4885AKR1A1 1093/4885
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol CTH, BHMT2, CRAT FOLH1 68/4885CHRM1 3234/4885AKR1A1 1059/4885

“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.