SCHEMBL21761391

SCHEMBL21761391

CCc1cc(C(F)(F)F)ccc1-c1cc2ccc(O)cc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.51
MIF P14174 12/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS1 P23219 1/20 0.50
NPC1 O15118 3/20 0.49
ERAP1 Q9NZ08 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
HSD17B3 P37058 1/20 0.47
CYP19A1 P11511 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
SCHEMBL22590866 0.86 HSD17B3 (0.57) ESR2MIFMEN1RAB9AKMT2A
SCHEMBL18583399 0.84 MAOB (0.57) MIFMEN1RAB9AKMT2AKDM4E
SCHEMBL18535562 0.83 MEN1 (0.57) ESR2MIFMEN1RAB9AKMT2A
SCHEMBL23713550 0.80 MAOB (0.45) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL22625522 0.80 MIF (0.67) ESR2MIFMEN1RAB9AKMT2A
SCHEMBL18583371 0.77 KDM4E (0.46) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL18535548 0.77 ESR2 (0.49) ESR2MIFMEN1RAB9AKMT2A
SCHEMBL21761390 0.76 MIF (0.62) ESR2MIFMEN1RAB9AKMT2A
SCHEMBL21116158 0.75 MIF (0.54) ESR2MIFMEN1RAB9AKMT2A
SCHEMBL220708 0.74 HSD17B3 (0.65) ESR2MIFMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3958788-B1 SYSTEM AND METHOD AMO Ireland (IE) 2023-11-22 EP disclosed
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 ESR2 3189/4885MIF 951/4885MEN1 3033/4885
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D ESR2 3107/4885MIF 2239/4885MEN1 1816/4885
US-11001576-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D ESR2 3107/4885MIF 2239/4885MEN1 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.