SCHEMBL18535489

SCHEMBL18535489

O=c1oc2cc(O)ccc2cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 14/20 0.65
NPC1 O15118 1/20 0.62
ESR2 Q92731 2/20 0.57
PTGS1 P23219 1/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 1/20 0.56
GLA P06280 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.55
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51

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
SCHEMBL18535716 0.90 MIF (0.62) MIFNPC1ESR2PTGS1KDM4E
SCHEMBL22590858 0.84 RAB9A (0.57) NPC1ESR2KDM4EALDH1A1HPGD
SCHEMBL21524281 0.84 MAOB (0.51) MIF
SCHEMBL18523595 0.84 MAOB (0.51) MIFNPC1KDM4EALDH1A1HPGD
SCHEMBL18583699 0.84 MIF (0.45) MIFNPC1ESR2PTGS1KDM4E
SCHEMBL21761390 0.83 MIF (0.62) MIFNPC1ESR2PTGS1KDM4E
SCHEMBL25848460 0.83 MIF (0.62) MIFNPC1ESR2PTGS1KDM4E
SCHEMBL30108452 0.81 MIF (0.74) MIFNPC1ESR2PTGS1KDM4E
SCHEMBL1706856 0.81 MIF (0.74) MIFNPC1ESR2PTGS1KDM4E
SCHEMBL106506 0.81 HSD17B3 (0.58) MIFNPC1ESR2PTGS1KDM4E

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 12 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-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
WO-2017032442-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2017-03-02 WO 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 MIF 1378/4885NPC1 2482/4885ESR2 3444/4885
US-11702396-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MIF 951/4885NPC1 1051/4885ESR2 3189/4885
US-10457658-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A MIF 1378/4885NPC1 2482/4885ESR2 3444/4885
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D MIF 2239/4885NPC1 2727/4885ESR2 3107/4885
US-11078177-B2 Compounds for optically active devices PDE6C, ALDH1A2, PDE6A MIF 1378/4885NPC1 2482/4885ESR2 3444/4885
US-11001576-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D MIF 2239/4885NPC1 2727/4885ESR2 3107/4885

“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.