SCHEMBL20550243

SCHEMBL20550243

Cc1cc(-c2ccccc2-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.61
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PTGS2 P35354 1/20 0.45
MCL1 Q07820 1/20 0.44
CYP2A6 P11509 1/20 0.43
CYP2B6 P20813 1/20 0.43
ESR1 P03372 1/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
HTR7 P34969 1/20 0.42
APP P05067 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PDK2 Q15119 1/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 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
SCHEMBL5013854 0.88 ESR2 (0.63) ESR2PDE3BPDE3ACYP2A6CYP2B6
SCHEMBL16192737 0.88 ESR2 (0.63) ESR2PDE3BPDE3ACYP2A6CYP2B6
SCHEMBL26820200 0.87 ESR2 (0.52) ESR2PTGS2MCL1ENPP3ENPP1
SCHEMBL28022262 0.83 ESR2 (0.49) ESR2PDE3BPDE3AHTR7MEN1
SCHEMBL27719211 0.81 APP (0.57) ESR2MCL1ESR1APPBACE1
SCHEMBL10341375 0.81 ESR2 (0.55) ESR2PDE3BPDE3AENPP3PDK2
SCHEMBL1481970 0.80 ESR2 (0.52) ESR2PTGS2MCL1CYP2A6CYP2B6
SCHEMBL29431901 0.80 NPC1 (0.48) ESR2MCL1ENPP3ENPP1HTR7
SCHEMBL76147 0.80 NPC1 (0.48) ESR2MCL1ENPP3ENPP1HTR7
SCHEMBL9876129 0.80 CNR2 (0.51) ESR2PTGS2ENPP3PDK2NPC1

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
US-10759997-B2 Polymerizable compound, liquid crystal medium containing same and liquid crystal display device SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2020-09-01 US disclosed
US-20180320071-A1 Polymerizable compound, liquid crystal medium containing same and liquid crystal display device SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2018-11-08 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-10759997-B2 Polymerizable compound, liquid crystal medium containing same and liquid crystal display device BPHL, KLK3, NEFM ESR2 4022/4885PDE3B 972/4885PDE3A 1132/4885
US-20180320071-A1 Polymerizable compound, liquid crystal medium containing same and liquid crystal display device BPHL, KLK3, NEFM ESR2 4022/4885PDE3B 972/4885PDE3A 1132/4885

“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.