SCHEMBL7111900

SCHEMBL7111900

Oc1cc2c(cc1O)Sc1ccccc1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 5/20 0.38
KDM4E B2RXH2 4/20 0.38
DRD1 P21728 4/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 1/20 0.38
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.34
ALOX15 P16050 2/20 0.33
IGF1R P08069 1/20 0.33
KDM1A O60341 1/20 0.33
ADCY6 O43306 1/20 0.33
ADCY3 O60266 1/20 0.33

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
SCHEMBL4488551 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHPGDKDM4EDRD1
SCHEMBL7110317 0.75 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKDM4EDRD2
SCHEMBL27598400 0.74 ALOX5 (0.47) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL4731236 0.73 ALDH1A1 (0.53) ALDH1A1LMNAHPGDKDM4EDRD1
SCHEMBL11011673 0.73 L3MBTL1 (0.47) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL11753994 0.73 HPGD (0.57) ALDH1A1LMNAHPGDDRD1DRD2
SCHEMBL2762686 0.73 BCL2L1 (0.38) ALDH1A1LMNAHPGDKDM4EDRD1
SCHEMBL9681447 0.73 GRIN2B (0.36) ALDH1A1LMNAHPGDKDM4EDRD2
SCHEMBL11247669 0.73 ALDH1A1 (0.36) ALDH1A1LMNAHPGDKDM4EMAPT
SCHEMBL4495800 0.72 TSHR (0.52) ALDH1A1LMNAHPGDKDM4EDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065021-A1 Tracheal smooth muscle relaxants YAMASHITA SHINYA (JP) 2003-04-03 US disclosed
US-6495592-B1 DIBENZ(B,F)OXEPIN DERIVATIVES; ANTIASTHMATICS NIPPON SUISAN KAISHA, LTD. (JP) 2002-12-17 US disclosed
EP-0805155-B1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA LTD (JP) 2002-03-13 EP disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 US disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 EP disclosed
EP-0805155-A1 NOVEL ANTIOXIDANT TRICYCLIC FUSED HETEROCYCLIC COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 1997-11-05 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-20030065021-A1 Tracheal smooth muscle relaxants MYLK, MUSK, CPT1B ALDH1A1 2363/4885LMNA 1131/4885HPGD 1148/4885

“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.