SCHEMBL7197037

SCHEMBL7197037

C=CCC1(COc2cccc3ccccc23)COC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.48
HTR1B P28222 7/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
KCNA3 P22001 1/20 0.39
HTR1D P28221 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
SLC6A4 P31645 2/20 0.38
HRH1 P35367 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DAO P14920 1/20 0.37
NR2E1 Q9Y466 1/20 0.37
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL29366887 0.82 HTR1B (0.46) HTR1BKDM4EALDH1A1HPGDTDP1
SCHEMBL1127659 0.82 HTR1B (0.46) HTR1BKDM4EALDH1A1HPGDTDP1
Oxirane SCHEMBL28066237 0.74 HPGD (0.50) HTR1BKDM4EALDH1A1HPGDATM
SCHEMBL4371294 0.71 HPGD (0.56) HTR1BKDM4EALDH1A1HPGDATM
SCHEMBL11331791 0.71 HTR1B (0.47) HTR1BKDM4EALDH1A1HPGDTDP1
Ethylene SCHEMBL3362752 0.70 HPGD (0.55) HTR1BKDM4EALDH1A1HPGDATM
Water SCHEMBL21694712 0.70 HPGD (0.55) HTR1BKDM4EALDH1A1HPGDATM
SCHEMBL21089714 0.69 TSHR (0.39) PDE9AKDM4EALDH1A1HPGDTDP1
SCHEMBL30800894 0.68 HTR1B (0.61) HTR1BKDM4EALDH1A1HPGDATM
SCHEMBL27683986 0.67 HTR1B (0.44) HTR1BKDM4EALDH1A1HPGDKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069120-B1 Naphthalene derivative, binaphthalene derivative and biphenyl derivative and cationically curable compound TOAGOSEI CO LTD (JP) 2003-08-13 EP claimed
US-6469108-B2 REACTING A DIHYDROXYNAPHTHALENE WITH 3-ALKYL-3-CHLOROMETHYLOXETANE OR 3-CHLOROMETHYLOXETANE IN PRESENCE OF ALKALI METAL HYDROXIDE, ALKALI METAL HYDRIDE OR ALKALI METAL TOAGOSEI CO., LTD. (JP) 2002-10-22 US claimed
US-20020103330-A1 Naphthalene derivative, binaphthalene derivative and biphenyl derivative and cationically curable compound TOAGOSEI CO., LTD. 2002-08-01 US claimed
EP-1069120-A1 Naphthalene derivative, binaphthalene derivative and biphenyl derivative and cationically curable compound TOAGOSEI CO., LTD. (JP) 2001-01-17 EP claimed
EP-1069120-B1 Naphthalene derivative, binaphthalene derivative and biphenyl derivative and cationically curable compound TOAGOSEI CO LTD (JP) 2003-08-13 EP disclosed
US-6469108-B2 REACTING A DIHYDROXYNAPHTHALENE WITH 3-ALKYL-3-CHLOROMETHYLOXETANE OR 3-CHLOROMETHYLOXETANE IN PRESENCE OF ALKALI METAL HYDROXIDE, ALKALI METAL HYDRIDE OR ALKALI METAL TOAGOSEI CO., LTD. (JP) 2002-10-22 US disclosed
US-20020103330-A1 Naphthalene derivative, binaphthalene derivative and biphenyl derivative and cationically curable compound TOAGOSEI CO., LTD. 2002-08-01 US disclosed
US-6365760-B1 BIS(3-ALKYLOXETAN-3-YL)-METHOXY)BIPHENYL COMPOUNDS USED AS OPTICAL MATERIALS; WORKABILITY; LOW VISCOSITY; HIGH REFRACTIVE INDEX; PHOTO AND THERMOCURING; TOAGOSEI CO., LTD. (JP) 2002-04-02 US disclosed
JP-2001040085-A CATION CURABLE COMPOSITION TOAGOSEI CO LTD 2001-02-13 JP disclosed
EP-1069120-A1 Naphthalene derivative, binaphthalene derivative and biphenyl derivative and cationically curable compound TOAGOSEI CO., LTD. (JP) 2001-01-17 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-20020103330-A1 Naphthalene derivative, binaphthalene derivative and biphenyl derivative and cationically curable compound NDC1, BECN1, NUCB2 PDE9A 4678/4885HTR1B 1933/4885KDM4E 467/4885

“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.