SCHEMBL23913694

SCHEMBL23913694

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
TACR1 P25103 3/20 0.36
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP2 P50579 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP2 P08253 2/20 0.31
NQO2 P16083 1/20 0.31
KMT2A Q03164 1/20 0.31
PGR P06401 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
SCHEMBL18309905 0.85 FFAR4 (0.44) ALDH1A1FFAR4LMNATSHRALOX12
SCHEMBL26744656 0.85 FFAR4 (0.44) ALDH1A1FFAR4LMNATSHRALOX12
SCHEMBL23913702 0.82 ALDH1A1 (0.39) ALDH1A1MAPK1FFAR4TACR1LMNA
SCHEMBL26030098 0.76 ACLY (0.43) ALDH1A1TSHRTDP1MMP2PGR
SCHEMBL23914032 0.76 ALDH1A1 (0.33) ALDH1A1TDP1SMN1; SMN2MMP2KMT2A
SCHEMBL25812033 0.75 ALDH1A1 (0.56) ALDH1A1MAPK1LMNATSHRALOX12
SCHEMBL23913688 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1SMN1; SMN2
SCHEMBL21766576 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRTDP1SMN1; SMN2
SCHEMBL23626262 0.74 ACHE (0.50) ALDH1A1MAPK1FFAR4LMNATSHR
SCHEMBL26031757 0.73 CA1 (0.42) ALDH1A1MAPK1LMNATSHRSMN1; SMN2

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.