SCHEMBL21758566

SCHEMBL21758566

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ccncc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 3/20 0.44
PTGER4 P35408 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.35
AR P10275 1/20 0.33
ABL1 P00519 1/20 0.33
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
PIP4K2A P48426 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL21758492 0.93 CYP11B2 (0.47) CYP11B2CYP11B1PTGER4GPBAR1AR
SCHEMBL21758718 0.92 CYP11B2 (0.42) CYP11B2CYP11B1PTGER4ABL1NPY5R
SCHEMBL18374379 0.90 PTGER4 (0.41) CYP11B2CYP11B1PTGER4ARALDH1A1
SCHEMBL21758183 0.89 CYP11B2 (0.41) CYP11B2CYP11B1PTGER4ARABL1
SCHEMBL21758476 0.89 CYP11B2 (0.46) CYP11B2CYP11B1PTGER4GPBAR1AR
SCHEMBL21758567 0.89 PTGER4 (0.38) CYP11B2CYP11B1PTGER4NPY5RCYP17A1
SCHEMBL21758556 0.89 PDE10A (0.39) CYP11B2CYP11B1PTGER4NPY5RALDH1A1
SCHEMBL21758577 0.89 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4NPY5RPGR
SCHEMBL21758184 0.88 PTGER4 (0.37) CYP11B2CYP11B1PTGER4NPY5RCYP17A1
SCHEMBL21758340 0.88 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 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 (1 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 CYP11B2 1243/4885CYP11B1 1224/4885PTGER4 1728/4885

“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.