SCHEMBL5723074

SCHEMBL5723074

COc1cccc2c1OC1(CCCCC1)CC2O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TRPM8 Q7Z2W7 12/20 0.38
TRPV1 Q8NER1 4/20 0.38
POLL Q9UGP5 1/20 0.38
HTR2B P41595 3/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5723045 0.99 ALDH1A1 (0.43) ALDH1A1TRPM8TRPV1POLLHTR2B
SCHEMBL11248045 0.80 ALDH1A1 (0.42) ALDH1A1HTR2BHPGDNPSR1
SCHEMBL16314494 0.79 TRPM8 (0.53) TRPM8TRPV1
SCHEMBL11258364 0.73 DRD2 (0.42) ALDH1A1
SCHEMBL11482443 0.73 MAPT (0.44) ALDH1A1HPGD
SCHEMBL5784672 0.72 PDE4A (0.40)
SCHEMBL12162414 0.72 OPRD1 (0.46) TRPV1
SCHEMBL1115144 0.72 OPRD1 (0.46) TRPV1
SCHEMBL11471447 0.70 MAPT (0.39) ALDH1A1HTR2BHPGD
SCHEMBL1154206 0.70 POLL (0.45) ALDH1A1POLLHPGD

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
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
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
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 ALDH1A1 323/4885TRPM8 4246/4885TRPV1 3772/4885

“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.