SCHEMBL6839302

SCHEMBL6839302

COc1ccc(/C(=C\c2ccncc2)c2ccccc2)c2c1OCC2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CYP11B2 P19099 2/20 0.45
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 6/20 0.33
THRB P10828 1/20 0.33
BRD4 O60885 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP1B1 Q16678 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HSD17B10 Q99714 3/20 0.31

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
SCHEMBL6839304 1.00 CYP19A1 (0.45) CYP19A1CYP11B2MAPTLMNAALDH1A1
SCHEMBL5722790 0.76 MAPT (0.51) MAPTLMNAALDH1A1CYP3A4CYP2C19
SCHEMBL5722872 0.76 CYP19A1 (0.46) CYP19A1CYP11B2MAPTLMNAALDH1A1
SCHEMBL5722881 0.76 CYP19A1 (0.46) CYP19A1CYP11B2MAPTLMNAALDH1A1
SCHEMBL5722878 0.75 CYP19A1 (0.45) CYP19A1CYP11B2MAPTLMNAALDH1A1
SCHEMBL5722883 0.75 CYP19A1 (0.45) CYP19A1CYP11B2MAPTLMNAALDH1A1
SCHEMBL5722983 0.73 MAPT (0.50) CYP19A1MAPTLMNAALDH1A1BRD4
SCHEMBL5722972 0.73 MAPT (0.50) CYP19A1MAPTLMNAALDH1A1BRD4
SCHEMBL5722791 0.72 LMNA (0.39) CYP19A1LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL5723212 0.72 KDM4E (0.47) MAPTLMNAALDH1A1HPGDSMN1; SMN2

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 4 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
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 CYP19A1 133/4885CYP11B2 43/4885MAPT 3600/4885

“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.