SCHEMBL21735519

SCHEMBL21735519

COc1ccc2cc(-c3cccnc3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.62
CYP11B1 P15538 9/20 0.62
CYP19A1 P11511 5/20 0.62
CYP17A1 P05093 4/20 0.62
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
CYP3A4 P08684 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
CD274 Q9NZQ7 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPY5R Q15761 1/20 0.47

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
SCHEMBL6832572 0.83 ESR1 (0.58) CYP11B2CYP11B1RAB9ANPC1MAPT
SCHEMBL7107469 0.82 ESR1 (0.51) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL31310542 0.80 NPC1 (0.56) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1665299 0.80 NPC1 (0.56) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL30421174 0.78 APP (0.61) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL21735520 0.78 ESR1 (0.69) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL22628823 0.77 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL4500403 0.77 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL1133139 0.77 HDAC3 (0.56) CYP11B2CYP11B1CYP19A1CYP17A1RAB9A
SCHEMBL20928430 0.76 ESR1 (0.46) RAB9ANPC1CYP3A4MAPTSMN1; SMN2

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 CYP11B2 2816/4885CYP11B1 2888/4885CYP19A1 2317/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CYP11B2 2816/4885CYP11B1 2888/4885CYP19A1 2317/4885

“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.