SCHEMBL12622012

SCHEMBL12622012

CCCC1CCC(C2Cc3ccc(-c4ccc(OCC)c(F)c4)c(F)c3C(=O)O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM1A O60341 2/20 0.33
PTPRC P08575 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
BRD4 O60885 4/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
TDP2 O95551 1/20 0.31
FPR2 P25090 1/20 0.30
NAAA Q02083 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL12376017 0.88 GPR119 (0.35) GPR119BRD4
SCHEMBL12621780 0.87 ALDH1A1 (0.32) KDM1A
SCHEMBL30472768 0.87 ALDH1A1 (0.32) KDM1A
SCHEMBL12622232 0.86 ALDH1A1 (0.32)
SCHEMBL12408850 0.85 GPR119 (0.33) GPR119
SCHEMBL12376120 0.82 MAOA (0.33) GPR119
SCHEMBL12621998 0.81 PTPRC (0.35) GPR119PTPRCGRIN1GRIN2BFPR2
SCHEMBL12621787 0.80 CYP1A2 (0.33)
SCHEMBL12621810 0.80 BACE1 (0.32) HTR2AHTR2C
SCHEMBL12621795 0.80 ALDH1A1 (0.38)

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-7951305-B2 Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2009-10-29 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-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE HCN2, PIEZO1, TRPV4 GPR119 3698/4885PIM1 2795/4885PIM2 2665/4885

“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.