SCHEMBL20135775

SCHEMBL20135775

CC(CCc1cccs1)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4729505 0.80 TAAR1 (0.54) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL12719654 0.80 KMT2A (0.35) ADRA2BADRA2CHTTPOLBCYP2C19
Ammonia Solution, Strong SCHEMBL28852825 0.79 TAAR1 (0.52) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL1079558 0.79 ALOX5 (0.40) TSHRPOLBRAB9AKMT2AALOX5
SCHEMBL8097235 0.78 TAAR1 (0.47) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL23094084 0.77 TAAR1 (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL12808832 0.77 ALOX5 (0.39) ADRA2BADRA2CHTTPOLBCYP2C19
SCHEMBL10728212 0.77 KMT2A (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B
SCHEMBL5481200 0.77 ALOX5 (0.42) ADRA2BADRA2CTSHRHTTPOLB
SCHEMBL9685393 0.77 KMT2A (0.50) TAAR1PTGS1PTGS2ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321291-B1 CATALYST COMPOSITION COMPRISING NOVEL TRANSITION METAL COMPOUND LG CHEMICAL LTD (KR) 2022-05-18 EP disclosed
US-10947327-B2 Catalyst composition including novel transition metal compound LG CHEM, LTD. 2021-03-16 US disclosed
US-20180201697-A1 CATALYST COMPOSITION INCLUDING NOVEL TRANSITION METAL COMPOUND LG CHEM, LTD. (KR) 2018-07-19 US disclosed
EP-3321291-A1 CATALYST COMPOSITION COMPRISING NOVEL TRANSITION METAL COMPOUND LG Chem, Ltd. (KR) 2018-05-16 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-10947327-B2 Catalyst composition including novel transition metal compound COG4, MCM4, ZNF436-AS1 TAAR1 3759/4885PTGS1 221/4885PTGS2 176/4885
US-20180201697-A1 CATALYST COMPOSITION INCLUDING NOVEL TRANSITION METAL COMPOUND COG4, MCM4, ZNF436-AS1 TAAR1 3759/4885PTGS1 221/4885PTGS2 176/4885

“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.