SCHEMBL4333440

SCHEMBL4333440

CCC[C@H]1CC[C@H](C2CCC(CCC=O)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TLR4 O00206 2/20 0.38
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CYP1A2 P05177 1/20 0.31
FAAH O00519 2/20 0.30
TRPV1 Q8NER1 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
SCHEMBL2914226 1.00 ALDH1A1 (0.39) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL4333449 1.00 ALDH1A1 (0.39) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL7901823 0.94 TSHR (0.37) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL7901831 0.94 TSHR (0.37) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL1894593 0.94 ALDH1A1 (0.43) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL2913315 0.94 ALDH1A1 (0.43) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL7735949 0.88 TSHR (0.43) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL7735946 0.88 TSHR (0.43) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL7735940 0.88 TSHR (0.43) ALDH1A1TLR4TSHRCYP2C9LMNA
SCHEMBL8454463 0.88 ALDH1A1 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020407-B1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF JNC CORP (JP) 2013-07-03 EP disclosed
EP-2020407-A1 2-OXETANONE DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Chisso Corporation (JP) 2009-02-04 EP disclosed
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
EP-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 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 ALDH1A1 1909/4885TLR4 2638/4885TSHR 1694/4885

“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.