SCHEMBL12928016

SCHEMBL12928016

Fc1ccc(Cn2c3ccccc3c3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5Cc4ccc(F)cc4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
EPHX2 P34913 1/20 0.44
P2RX4 Q99571 1/20 0.43
MCL1 Q07820 1/20 0.43
TSPO P30536 1/20 0.43
TP53 P04637 2/20 0.41
RAB9A P51151 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL12928019 1.00 CYP19A1 (0.51) CYP19A1PTGDR2TSHRMEN1KMT2A
SCHEMBL12928014 0.97 CYP19A1 (0.50) CYP19A1PTGDR2TSHRMEN1KMT2A
SCHEMBL12928021 0.94 CYP19A1 (0.48) CYP19A1PTGDR2TSHRMEN1KMT2A
SCHEMBL12928015 0.91 P2RX4 (0.52) CYP19A1PTGDR2TSHRMEN1KMT2A
SCHEMBL18135002 0.90 CYP19A1 (0.64) CYP19A1MEN1KMT2AP2RX4TP53
SCHEMBL22063794 0.90 CYP19A1 (0.64) CYP19A1MEN1KMT2AP2RX4TP53
SCHEMBL17965655 0.90 CYP19A1 (0.64) CYP19A1MEN1KMT2AP2RX4TP53
SCHEMBL17965656 0.89 CYP19A1 (0.66) CYP19A1MEN1KMT2AP2RX4TP53
SCHEMBL12928032 0.89 TP53 (0.46) CYP19A1PTGDR2TSHRMEN1KMT2A
SCHEMBL12928020 0.89 CYP19A1 (0.44) CYP19A1PTGDR2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867631-B2 Fluorine-containing compound and organic light-emitting device employing the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-01-11 US disclosed
US-7867631-B2 Fluorine-containing compound and organic light-emitting device employing the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-01-11 US disclosed
US-20080169755-A1 FLUORINE-CONTAINING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME SAMSUNG SDI CO., LTD. (KR) 2008-07-17 US disclosed
US-20080169755-A1 FLUORINE-CONTAINING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME SAMSUNG SDI CO., LTD. (KR) 2008-07-17 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-20080169755-A1 FLUORINE-CONTAINING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME SLC43A1, FEM1B, KCNH3 CYP19A1 293/4885PTGDR2 3002/4885TSHR 1769/4885

“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.