SCHEMBL6839367

SCHEMBL6839367

COc1ccc(CNCCc2ccccc2)c2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
NR1H4 Q96RI1 5/20 0.44
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.41
HASPIN Q8TF76 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL6838087 0.95 NR1H4 (0.43) PTGDR2NR1H4HTTNPC1RAB9A
SCHEMBL6836454 0.92 HTT (0.46) PTGDR2CYP2D6CYP2C19ALDH1A1HTT
SCHEMBL6837814 0.90 MEN1 (0.49) CYP2C19ALDH1A1HTTCYP3A4CYP2C9
SCHEMBL6836878 0.89 SMN1; SMN2 (0.47) CYP2D6CYP2C19ALDH1A1HTTCYP3A4
SCHEMBL6837974 0.86 NPC1 (0.45) HTTNPC1RAB9APOLBKMT2A
SCHEMBL6838101 0.85 SLC6A5 (0.46) CYP2C19ALDH1A1HTTCYP3A4CYP2C9
SCHEMBL6838004 0.84 THRB (0.49) CYP2D6CYP2C19ALDH1A1HTTCYP3A4
SCHEMBL6833261 0.84 CNR1 (0.47) ALDH1A1HTTNPC1RAB9APOLB
SCHEMBL6837885 0.84 NPC1 (0.53) CYP2D6CYP2C19ALDH1A1HTTCYP3A4
SCHEMBL6837813 0.83 NR1H4 (0.43) NR1H4ALDH1A1HTTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 PTGDR2 3567/4885NR1H4 157/4885CYP2D6 187/4885

“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.