SCHEMBL2194375

SCHEMBL2194375

Cc1c[c]c(C2CCCCC2)cc1O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ DOHH Q9BU89 1/20 0.33
▸ CNR2 P34972 5/20 0.32
▸ CNR1 P21554 5/20 0.32
▸ NUDT1 P36639 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ PSMB5 P28074 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL15063733 0.72 — —
SCHEMBL5581551 0.71 TDO2 (0.34) —
SCHEMBL68884 0.68 NUDT1 (0.44) ACMSDNR1I2KDM4BCHRM1TBXA2R
SCHEMBL1243063 0.68 KDM4E (0.41) ACMSDNR1I2KDM4BCHRM1TBXA2R
SCHEMBL14283748 0.68 NUDT1 (0.44) ACMSDNR1I2KDM4BCHRM1TBXA2R
SCHEMBL929865 0.68 NUDT1 (0.37) ACMSDNR1I2KDM4BCHRM1TBXA2R
SCHEMBL22313839 0.67 ACMSD (0.53) ACMSDCNR2BACE1HDAC4HDAC2
SCHEMBL29890620 0.67 ACMSD (0.53) ACMSDCNR2BACE1HDAC4HDAC2
SCHEMBL1777247 0.67 NPC1 (0.38) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL3357755 0.67 ACMSD (0.53) ACMSDCNR2BACE1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 — — US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 — — US disclosed
US-8921613-B2 Polynuclear poly(phenol) family HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-12-30 — — US disclosed
US-20120277479-A1 NOVEL POLYNUCLEAR POLY(PHENOL) FAMILY HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-11-01 — — US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 — — 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 (3 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-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AHR, PAH, ALK ACMSD 1029/4885NR1I2 8/4885KDM4B 1682/4885
US-20120277479-A1 NOVEL POLYNUCLEAR POLY(PHENOL) FAMILY PAH, C1S, AP1S1 ACMSD 1524/4885NR1I2 97/4885KDM4B 2290/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT ACMSD 1637/4885NR1I2 41/4885KDM4B 1477/4885

“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.

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