SCHEMBL21392013

SCHEMBL21392013

CCCCCC1CCC([C@H]2CC[C@@](C)(O)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
PKM P14618 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
LSS P48449 2/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.32
CCR2 P41597 1/20 0.32
LIPA P38571 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL19721994 1.00 CYP1A2 (0.39) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9648982 0.83 CYP1A2 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9649093 0.83 CYP1A2 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL8011866 0.83 CYP1A2 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9649108 0.83 CYP1A2 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10707112 0.82 CYP1A2 (0.54) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10346757 0.82 CYP1A2 (0.54) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10346759 0.82 CYP1A2 (0.54) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9649298 0.81 CYP1A2 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10702696 0.80 CYP1A2 (0.52) CYP1A2PKMHTTLMNAMAPK1

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-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same JNC CORPORATION (JP) 2020-12-15 US disclosed
US-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium JNC CORPORATION (JP) 2020-09-29 US disclosed
US-20190292455-A1 LOW MOLECULAR WEIGHT POLAR COMPOUND FOR HOMOGENEOUSLY ALIGNING LIQUID CRYSTAL MEDIUM, AND LIQUID CRYSTAL MEDIUM CONTAINING SAME JNC CORPORATION (JP) 2019-09-26 US disclosed
US-20190292462-A1 LIQUID CRYSTAL DISPLAY DEVICE INCLUDING LIQUID CRYSTAL MEDIUM CONTAINING LOW MOLECULAR WEIGHT POLAR COMPOUND FOR HOMOGENEOUSLY ALIGNING LIQUID CRYSTAL MEDIUM JNC CORPORATION (JP) 2019-09-26 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 (3 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-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium ACP1, MAPK1, PLD1 CYP1A2 3538/4885PKM 1138/4885HTT 4783/4885
US-20190292462-A1 LIQUID CRYSTAL DISPLAY DEVICE INCLUDING LIQUID CRYSTAL MEDIUM CONTAINING LOW MOLECULAR WEIGHT POLAR COMPOUND FOR HOMOGENEOUSLY ALIGNING LIQUID CRYSTAL MEDIUM ACP1, MAPK1, PLD1 CYP1A2 3538/4885PKM 1138/4885HTT 4783/4885
US-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same ACP1, MFAP1, PHOSPHO1 CYP1A2 4252/4885PKM 785/4885HTT 4691/4885

“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.