SCHEMBL21661978

SCHEMBL21661978

O=C1C=C(c2ccccc2Br)CC(c2cc(C(F)(F)F)ccc2Br)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
THRB P10828 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CETP P11597 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.32
CTSD P07339 1/20 0.31
TERT O14746 1/20 0.31
TACR1 P25103 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL21662248 0.91 EDNRB (0.35) L3MBTL1TDP1EDNRBEDNRATHRB
SCHEMBL21662337 0.84 L3MBTL1 (0.43) L3MBTL1TDP1MAP1LC3BMAOB
SCHEMBL21662145 0.83 PARP10 (0.38) L3MBTL1EDNRBEDNRAMAOB
SCHEMBL19781085 0.82 MAP1LC3B (0.44) L3MBTL1TDP1MAP1LC3B
SCHEMBL21662151 0.81 ALDH1A1 (0.39) L3MBTL1TDP1EDNRBEDNRATHRB
SCHEMBL21662333 0.79 L3MBTL1 (0.38) L3MBTL1TDP1MAP1LC3B
SCHEMBL21662194 0.78 L3MBTL1 (0.39) L3MBTL1TDP1EDNRBEDNRAMAOB
SCHEMBL21662331 0.78 L3MBTL1 (0.39) L3MBTL1TDP1MAP1LC3BMAOB
SCHEMBL21662334 0.77 ALDH1A1 (0.40) L3MBTL1TDP1MAP1LC3B
SCHEMBL21661972 0.77 L3MBTL1 (0.43) L3MBTL1TDP1MAP1LC3BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC L3MBTL1 3034/4885TDP1 2113/4885EDNRB 400/4885

“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.