Sugi Predict

Sugi Predict / Compounds / SCHEMBL7735799

SCHEMBL7735799

SCHEMBL7735799

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCCO)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ LMNA P02545 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ TLR4 O00206 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PKM P14618 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
SCHEMBL7735789 1.00 CYP1A2 (0.41) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL3477058 1.00 CYP1A2 (0.41) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL3477325 0.92 LMNA (0.41) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL19722206 0.89 CYP1A2 (0.45) CYP1A2LMNAMAPK1HTTALDH1A1
SCHEMBL10073833 0.89 ESR2 (0.33) CYP1A2LMNAMAPK1HTT
SCHEMBL6750485 0.86 TLR4 (0.41) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL31704075 0.86 CYP1A2 (0.44) CYP1A2LMNAMAPK1HTTALDH1A1
SCHEMBL9442488 0.86 TLR4 (0.41) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL6458707 0.84 CYP1A2 (0.58) CYP1A2LMNAMAPK1HTTTLR4
SCHEMBL7507829 0.84 CYP1A2 (0.58) CYP1A2LMNAMAPK1HTTTLR4

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 6 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-0922021-A1 DIFLUOROPHENYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1999-06-16 — — EP disclosed
WO-1998007674-A1 DIFLUOROPHENYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-02-26 — — WO 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 2475/4885LMNA 3558/4885MAPK1 967/4885

“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.