SCHEMBL7737003

SCHEMBL7737003

CCCCC[C@H]1CC[C@H](CCCCC2CCC(=O)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.50
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
TLR4 O00206 1/20 0.41
CCR2 P41597 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7737007 1.00 CYP1A2 (0.50) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9253144 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9013489 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9013327 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9013411 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9013415 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9337247 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9337256 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9013646 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9013641 0.98 CYP1A2 (0.49) CYP1A2PKMMEN1KMT2AHTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458433-B1 ISOTOPE REPLACEMENT; OPTICAL DISPLAY CHISSO CORPORATION (JP) 2002-10-01 US disclosed
US-20020038858-A1 Isotope replacement; optical display JNC CORPORATION (JP) 2002-04-04 US disclosed
US-6174459-B1 HAVING BUTYLENE GROUP AND/OR A PROPYLENEOXY GROUP AND A 3,4-DIFLUOROPHENYL GROUP AND WHICH CAN EXPRESS SOME PHYSICAL PROPERTIES SUITABLE AS A LIQUID CRYSTAL DISPLAY MATERIAL CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0949232-A1 DIFLUOROPHENYL DERIVATIVES, LIQUID-CRYSTAL COMPOUNDS, AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1999-10-13 EP disclosed
EP-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 EP disclosed
US-5468421-A Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1995-11-21 US disclosed
EP-0568040-A1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1993-11-03 EP 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-20020038858-A1 Isotope replacement; optical display IRS1, FES, IK CYP1A2 2475/4885PKM 3388/4885MEN1 782/4885

“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.