SCHEMBL23913702

SCHEMBL23913702

Cc1cc(Br)cc(S(C)(c2ccccc2)c2cc(C)cc(Br)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
TACR1 P25103 3/20 0.36
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EDNRB P24530 4/20 0.31
EDNRA P25101 4/20 0.31
MMP2 P08253 3/20 0.31
METAP2 P50579 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER1 P34995 1/20 0.30

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
SCHEMBL23913694 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1FFAR4TACR1LMNA
SCHEMBL23914033 0.78 ALDH1A1 (0.43) ALDH1A1MAPK1TSHRTDP1EDNRB
SCHEMBL23913535 0.77 ALDH1A1 (0.33) ALDH1A1MMP2
SCHEMBL3253436 0.73 HTR6 (0.47) ALDH1A1LMNATSHRALOX12ACHE
SCHEMBL14905860 0.72 ACHE (0.50) ALDH1A1LMNATSHRALOX12ACHE
SCHEMBL26013331 0.72 ACHE (0.50) ALDH1A1LMNATSHRALOX12ACHE
Bromobenzene SCHEMBL9227147 0.72 ALDH1A1 (0.58) ALDH1A1MAPK1TACR1LMNATSHR
SCHEMBL2465936 0.71 PTGS2 (0.35) ALDH1A1MAPK1
SCHEMBL30253215 0.71 PTGS2 (0.35) ALDH1A1MAPK1
SCHEMBL21794128 0.68 CYTH2 (0.51) ALDH1A1FFAR4LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317147-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME LG CHEM, LTD. (KR) 2021-10-14 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 (1 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-20210317147-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CYP1A1, CRY1, CYP1B1 ALDH1A1 23/4885MAPK1 813/4885FFAR4 4146/4885

“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.