SCHEMBL21761483

SCHEMBL21761483

COc1ccc(Br)cc1-c1cc2ccc(OC(C)=O)cc2oc1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.60
▸ RAB9A P51151 6/20 0.60
▸ GLA P06280 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ GAA P10253 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ CASP1 P29466 2/20 0.52
▸ CASP7 P55210 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ MIF P14174 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GAPDH P04406 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ERAP1 Q9NZ08 2/20 0.48

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
SCHEMBL21761476 0.91 GLA (0.60) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL23316814 0.83 GLA (0.61) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL18523591 0.82 NPC1 (0.77) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL30108440 0.82 NPC1 (0.71) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL28581210 0.82 NPC1 (0.71) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL18583389 0.81 GLA (0.55) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL28590377 0.80 NPC1 (0.69) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL23316741 0.79 GLA (0.72) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL20288536 0.79 NPC1 (0.79) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL28585595 0.78 NPC1 (0.73) NPC1RAB9AGLAKDM4EMEN1

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-11702396-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NPC1 1051/4885RAB9A 1916/4885GLA 963/4885
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D NPC1 2727/4885RAB9A 1119/4885GLA 247/4885
US-11001576-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D NPC1 2727/4885RAB9A 1119/4885GLA 247/4885

“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.

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