SCHEMBL6728784

SCHEMBL6728784

CC(C)(S)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
CYP2D6 P10635 2/20 0.54
LMNA P02545 1/20 0.54
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CALM1 P0DP23 1/20 0.41
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
FDPS P14324 1/20 0.40
PRMT1 Q99873 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL27575797 0.80 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL21985070 0.80 SLC6A2 (0.54) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL19664962 0.79 TAAR1 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL395842 0.78 TAAR1 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL1572105 0.78 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL347187 0.78 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL331052 0.78 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
Hydrochloric Acid SCHEMBL394411 0.77 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL19827414 0.77 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
Ammonia Solution, Strong SCHEMBL10608295 0.76 SLC6A2 (0.61) SLC6A2TAAR1CYP2D6LMNATRPA1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115651017-A Method for selectively preparing benzyl or alkyl phosphine oxide compound based on benzyl thioether derivative 中南大学 2023-01-31 CN claimed
CN-115651017-A Method for selectively preparing benzyl or alkyl phosphine oxide compound based on benzyl thioether derivative 中南大学 2023-01-31 CN disclosed
WO-2021163467-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-19 WO disclosed
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-03-17 US disclosed
WO-2011004177-A1 FLUORESCENT POLYMERS AND METHODS FOR SOLID-PHASE EXTRACTION TOXIMET LIMITED (GB) 2011-01-13 WO disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO 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-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT SLC6A2 822/4885TAAR1 4783/4885CYP2D6 152/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 SLC6A2 4298/4885TAAR1 1548/4885CYP2D6 354/4885

“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.