SCHEMBL13172004

SCHEMBL13172004

CCCC1(c2ccccc2)OCCO1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL14778102 0.92 TSHR (0.40) TSHRMAPK1SMN1; SMN2L3MBTL1KDM1A
SCHEMBL14779453 0.92 TSHR (0.40) TSHRMAPK1SMN1; SMN2L3MBTL1KDM1A
SCHEMBL14778726 0.89 OPRM1 (0.45) TSHRMAPK1SMN1; SMN2L3MBTL1OPRM1
SCHEMBL14778802 0.87 MMP2 (0.44) TSHRMAPK1SMN1; SMN2L3MBTL1OPRM1
SCHEMBL14779728 0.85 MMP2 (0.46) TSHRMAPK1SMN1; SMN2L3MBTL1OPRM1
SCHEMBL14779458 0.85 MMP2 (0.46) TSHRMAPK1SMN1; SMN2L3MBTL1OPRM1
SCHEMBL14778693 0.85 MMP2 (0.46) TSHRMAPK1SMN1; SMN2L3MBTL1OPRM1
SCHEMBL14778414 0.85 MMP2 (0.46) TSHRMAPK1SMN1; SMN2L3MBTL1OPRM1
SCHEMBL14778078 0.85 MMP2 (0.46) TSHRMAPK1SMN1; SMN2L3MBTL1OPRM1
SCHEMBL27541136 0.85 MMP2 (0.46) TSHRMAPK1SMN1; SMN2L3MBTL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
US-20100239962-A1 TWO-PHOTON ABSORBING OPTICAL RECORDING MATERIAL AND TWO-PHOTON ABSORBING OPTICAL RECORDING AND REPRODUCING METHOD FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
US-7771915-B2 Two-photon absorbing optical recording material and two-photon absorbing optical recording and reproducing method FUJIFILM CORPORATION (JP) 2010-08-10 US disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-7588863-B2 Hologram recording method and hologram recording material FUJIFILM CORPORATION (JP) 2009-09-15 US disclosed
US-7582390-B2 Two-photon absorbing polymerization method, two-photon absorbing optical recording material and two-photon absorbing optical recording method FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 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-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 TSHR 2844/4885MAPK1 892/4885SMN1; SMN2 4361/4885

“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.