SCHEMBL7110317

SCHEMBL7110317

Oc1cc(O)c2c(c1)Sc1ccccc1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.37
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NQO2 P16083 1/20 0.32
MIF P14174 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
BCL2L1 Q07817 1/20 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
SCHEMBL11247669 0.84 ALDH1A1 (0.36) ALDH1A1LMNAHPGDKDM4EMEN1
SCHEMBL14098088 0.80 HPGD (0.35) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL14098089 0.79 ALOX5 (0.36) ALDH1A1ALOX5BCL2MCL1HSP90AA1
SCHEMBL14098257 0.77 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL14098103 0.76 DRD2 (0.34) DRD2
SCHEMBL14138476 0.76
SCHEMBL5103399 0.76 HTR7 (0.38) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL14138462 0.76 DRD2 (0.35) MIFCA2CA6DRD2
SCHEMBL4488551 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHPGDKDM4EMEN1
SCHEMBL7111900 0.75 ALDH1A1 (0.41) ALDH1A1LMNAALOX5HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207837-B1 REACTING HALOGEN-SUBSTITUTED PHENYL DERIVATIVE WITH A DISULFIDE COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-03-27 US claimed
EP-1026153-A1 NOVEL PROCESS FOR PRODUCING DIBENZO[b,f]THIEPINE DERIVATIVES Nippon Suisan Kaisha, Ltd. (JP) 2000-08-09 EP claimed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 US disclosed
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
US-6207837-B1 REACTING HALOGEN-SUBSTITUTED PHENYL DERIVATIVE WITH A DISULFIDE COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-03-27 US disclosed
US-6180659-B1 USING A DIBENZO(B,F)-(OXEPIN OR THIEPIN) COMPOUND NIPPON SUISAN KAISHA, LTD. (JP) 2001-01-30 US disclosed
EP-1026153-A1 NOVEL PROCESS FOR PRODUCING DIBENZO[b,f]THIEPINE DERIVATIVES Nippon Suisan Kaisha, Ltd. (JP) 2000-08-09 EP disclosed
EP-0885610-A1 TRACHEAL SMOOTH MUSCLE RELAXANT NIPPON SUISAN KAISHA, LTD. (JP) 1998-12-23 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 1131/4885ALOX5 1061/4885

“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.