SCHEMBL21735622

SCHEMBL21735622

OCCCC(F)(F)CCCOc1ccc2cc(-c3cccnc3)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
CYP19A1 P11511 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABL1 P00519 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP2A6 P11509 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL22628823 0.90 CYP11B2 (0.41) F9F10CYP11B1CYP11B2CYP19A1
SCHEMBL21735286 0.85 POLB (0.38) F9F10CYP11B1CYP11B2CYP19A1
SCHEMBL21735298 0.85 HDAC1 (0.37) F9F10CYP11B1CYP11B2CYP19A1
SCHEMBL21735629 0.83 CYP11B2 (0.39) F9F10CYP11B1CYP11B2CYP19A1
SCHEMBL21735551 0.80 SIGMAR1 (0.42) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6
SCHEMBL21735674 0.79 CYP11B2 (0.41) F9F10CYP11B1CYP11B2CYP19A1
SCHEMBL21735084 0.77 MEN1 (0.42) CYP3A4ESR1ESR2RAB9AMAPT
SCHEMBL21735522 0.77 PDK2 (0.40) ESR1ESR2PDK2
SCHEMBL21735524 0.76 CYP11B2 (0.40) F9F10CYP11B1CYP11B2CYP19A1
SCHEMBL21735519 0.72 CYP11B2 (0.62) CYP11B1CYP11B2CYP19A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (2 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 F9 2929/4885F10 3824/4885CYP11B1 2888/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 F9 2929/4885F10 3824/4885CYP11B1 2888/4885

“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.