SCHEMBL16769006

SCHEMBL16769006

Cc1ccc(OCC2CCC(C3CCC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
RIPK1 Q13546 1/20 0.36
PDE4B Q07343 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 1/20 0.36
FFAR1 O14842 2/20 0.34
HPGD P15428 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PPARD Q03181 1/20 0.33
BRD4 O60885 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL26277380 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL16769005 0.97 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL26277383 0.97 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL26277379 0.95 HTR2A (0.39) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL26277387 0.93 NOS3 (0.35) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL26277391 0.91 RIPK1 (0.39) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL26277386 0.91 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL24170294 0.91 HTR2C (0.41) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL10454692 0.90 HPGD (0.37) HTR2AHTR2CHTR2BRIPK1PDE4B
SCHEMBL18773601 0.90 HPGD (0.37) HTR2AHTR2CHTR2BRIPK1PDE4B

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-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-06-04 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-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof CTNND1, YWHAZ, DVL1 HTR2A 3920/4885HTR2C 3779/4885HTR2B 3829/4885

“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.