SCHEMBL5722752

SCHEMBL5722752

COc1ccc(/C=C/c2ccncc2)c2c1OC1(CCCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
CYP1A1 P04798 2/20 0.45
CYP1B1 Q16678 2/20 0.45
PDE4B Q07343 10/20 0.43
PDE4A P27815 9/20 0.43
PDE4C Q08493 9/20 0.43
PDE4D Q08499 9/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5722755 1.00 MAPT (0.47) MAPTLMNACYP1A1CYP1B1PDE4B
SCHEMBL5723282 0.99 MAPT (0.46) MAPTLMNACYP1A1CYP1B1PDE4B
SCHEMBL5723278 0.99 MAPT (0.46) MAPTLMNACYP1A1CYP1B1PDE4B
Hydrochloric Acid SCHEMBL5723516 0.99 MAPT (0.46) MAPTLMNACYP1A1CYP1B1PDE4B
Hydrochloric Acid SCHEMBL5723513 0.99 MAPT (0.46) MAPTLMNACYP1A1CYP1B1PDE4B
Hydrochloric Acid SCHEMBL5722735 0.98 MAPT (0.45) MAPTLMNACYP1A1CYP1B1PDE4B
Hydrochloric Acid SCHEMBL5722738 0.98 MAPT (0.45) MAPTLMNACYP1A1CYP1B1PDE4B
SCHEMBL5723570 0.91 MAPT (0.47) MAPTLMNACYP1A1CYP1B1PDE4B
SCHEMBL6838147 0.90 MAPT (0.46) MAPTLMNACYP1A1CYP1B1PDE4B
Hydrochloric Acid SCHEMBL5723102 0.90 MAPT (0.46) MAPTLMNACYP1A1CYP1B1PDE4B

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 MAPT 3600/4885LMNA 1848/4885CYP1A1 9/4885

“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.