SCHEMBL22340943

SCHEMBL22340943

CCCC(C)N(Cc1ccc(SC)cc1)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.45
BMP1 P13497 1/20 0.43
GAA P10253 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
SLC6A4 P31645 6/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APLNR P35414 1/20 0.35

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
SCHEMBL20871412 0.91 HTT (0.42) SLC6A4TAAR1HTTSMN1; SMN2APLNR
SCHEMBL29336136 0.90 QPCT (0.46) QPCTBMP1GAACYP1A1CYP1A2
SCHEMBL22340948 0.85 CNR1 (0.45) SLC6A4MEN1KMT2ATAAR1HTT
SCHEMBL20871164 0.85 CNR1 (0.45) SLC6A4MEN1KMT2ATAAR1HTT
SCHEMBL29335346 0.85 BMP1 (0.50) QPCTBMP1GAACYP1A1CYP1A2
SCHEMBL22340950 0.84 KMT2A (0.45) MEN1KMT2ATAAR1HTTSMN1; SMN2
SCHEMBL29336228 0.84 KMT2A (0.41) GAASLC6A4MEN1KMT2ATAAR1
SCHEMBL22340951 0.84 BCL2A1 (0.47) MEN1KMT2ATAAR1HTTSMN1; SMN2
SCHEMBL22340961 0.84 APP (0.44) SLC6A4TAAR1HTTSMN1; SMN2APLNR
SCHEMBL22340952 0.82 CYP19A1 (0.44) MEN1KMT2ATAAR1

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
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 QPCT 988/4885BMP1 3634/4885GAA 4254/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A QPCT 998/4885BMP1 3800/4885GAA 4059/4885

“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.