SCHEMBL9285703

SCHEMBL9285703

CCCC1CCC(C2CCC(C3Cc4ccc(C(=O)O)cc4C3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
DRD3 P35462 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FYN P06241 1/20 0.40
OPRD1 P41143 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
TLR4 O00206 1/20 0.36
SRD5A2 P31213 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10929547 0.86 FYN (0.54) CYP2C9ALDH1A1MAPTLMNADRD3
SCHEMBL9288551 0.79 PNMT (0.45) CYP2C9FYNTLR4
SCHEMBL9389782 0.77 HTR1D (0.46) CYP2C9DRD3FYNTLR4
SCHEMBL9389785 0.77 HTR1D (0.46) CYP2C9DRD3FYNTLR4
SCHEMBL24214088 0.76 ALDH1A1 (0.49) ALDH1A1MAPTDRD3TDP1OPRD1
SCHEMBL7722695 0.76 CYP2C9 (0.69) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL7722701 0.76 CYP2C9 (0.69) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL7722697 0.76 CYP2C9 (0.69) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL11034978 0.76 RARB (0.49) CYP2C9ALDH1A1MAPTLMNADRD3
SCHEMBL11302172 0.76 CYP2C9 (0.40) CYP2C9ALDH1A1MAPTLMNADRD3

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-8388861-B2 Liquid crystal compound and liquid crystal mixture JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2013-03-05 US disclosed
US-8388861-B2 Liquid crystal compound and liquid crystal mixture JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2013-03-05 US disclosed
US-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE JIANGSU HECHENG CHEMICAL MATERIALS CO., LTD. (CN) 2012-05-31 US disclosed
US-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE JIANGSU HECHENG CHEMICAL MATERIALS CO., LTD. (CN) 2012-05-31 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-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE CPNE4, LEO1, NCAPD3 CYP2C9 1817/4885ALDH1A1 3033/4885MAPT 2362/4885

“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.