SCHEMBL21116158

SCHEMBL21116158

CCc1ccc(-c2cc3ccc(O)cc3oc2=O)c(OC(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.54
GLA P06280 2/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 3/20 0.47
ERAP1 Q9NZ08 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
TLR9 Q9NR96 1/20 0.47
ESR2 Q92731 2/20 0.47
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
PFKFB3 Q16875 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL18583398 0.89 MIF (0.49) MIFGLAMEN1KMT2ANPC1
SCHEMBL18583707 0.82 MIF (0.71) MIFGLAMEN1KMT2ANPC1
SCHEMBL18535562 0.81 MEN1 (0.57) MIFGLAMEN1KMT2ANPC1
SCHEMBL21761397 0.81 GLA (0.37) MIFGLAKDM4EALDH1A1GAA
SCHEMBL24595690 0.78 STS (0.40) GLAMEN1KMT2ANPC1ATM
SCHEMBL27105819 0.78 STS (0.40) GLAMEN1KMT2ANPC1RAB9A
SCHEMBL21116073 0.77 MEN1 (0.53) MIFGLAMEN1KMT2ANPC1
SCHEMBL23316808 0.76 ESR2 (0.76) MIFGLAMEN1KMT2ANPC1
SCHEMBL21065582 0.76 GPR55 (0.39) MIFMEN1KMT2AATMKDM4E
SCHEMBL23542234 0.76 NPC1 (0.46) GLANPC1RAB9AKDM4EALDH1A1

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 8 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
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP 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
EP-3502147-A1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS Merck Patent GmbH (DE) 2019-06-26 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 (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 MIF 951/4885GLA 963/4885MEN1 3033/4885
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D MIF 2239/4885GLA 247/4885MEN1 1816/4885
US-11001576-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D MIF 2239/4885GLA 247/4885MEN1 1816/4885

“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.