SCHEMBL18535552

SCHEMBL18535552

COc1ccc2cc(-c3ccc(Br)cc3)c(=O)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GSTP1 P09211 1/20 0.45
MAOB P27338 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
APP P05067 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ACHE P22303 2/20 0.40
ALK Q9UM73 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL21761461 0.86 RAB9A (0.55) CA2GSTP1NPC1RAB9APDE3B
SCHEMBL205800 0.80 HDAC6 (0.48) CA2APPNPC1RAB9ATP53
SCHEMBL18523593 0.79 CASP3 (0.45) CA2GSTP1RAB9AACHEMAPT
SCHEMBL23713529 0.78 CASP3 (0.44) CA2GSTP1MAPTHPGD
SCHEMBL21735627 0.72 NFKB1 (0.45) CA2APPNPC1RAB9ATP53
SCHEMBL5934958 0.72 NPC1 (0.75) CA2MAOBNPC1RAB9AACHE
SCHEMBL21735634 0.72 CA2 (0.43) CA2HDAC1APPNPC1RAB9A
SCHEMBL29771048 0.72 CA2 (0.54) CA2APPNPC1RAB9APDE3B
SCHEMBL4438844 0.72 CA2 (0.54) CA2APPNPC1RAB9APDE3B
SCHEMBL1368099 0.71 CA2 (0.50) CA2MAOBNPC1RAB9APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702396-B2 Hydrophobic compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-07-18 US disclosed
US-11702396-B2 Hydrophobic compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-07-18 US disclosed
US-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 US disclosed
US-11078177-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-08-03 US disclosed
US-11001576-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3583102-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3583101-B1 BIS-COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-27 US disclosed
US-10457658-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2019-10-29 US disclosed
EP-3133065-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2017-02-22 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 (6 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-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, ALDH1A2, PDE6A CA2 2343/4885GSTP1 1328/4885MAOB 212/4885
US-11702396-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CA2 3899/4885GSTP1 2459/4885MAOB 3207/4885
US-10457658-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A CA2 2343/4885GSTP1 1328/4885MAOB 212/4885
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D CA2 2155/4885GSTP1 2092/4885MAOB 372/4885
US-11078177-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A CA2 2343/4885GSTP1 1328/4885MAOB 212/4885
US-11001576-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D CA2 2155/4885GSTP1 2092/4885MAOB 372/4885

“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.