SCHEMBL7108674

SCHEMBL7108674

COc1cc(OC)cc(Sc2ccccc2CO)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP12 P39900 4/20 0.48
APOBEC3G Q9HC16 1/20 0.47
MMP14 P50281 1/20 0.45
SLC6A4 P31645 7/20 0.44
HTR1A P08908 1/20 0.42
HTR3A P46098 1/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL6937175 0.88 HTR1A (0.52) IDO1MEN1POLBKMT2AMMP2
SCHEMBL4808474 0.85 MEN1 (0.66) MEN1POLBKMT2AMMP2MMP9
SCHEMBL7116833 0.84 IDO1 (0.49) IDO1MEN1POLBKMT2AMMP2
SCHEMBL8230220 0.81 MEN1 (0.61) MEN1POLBKMT2AMMP2MMP9
SCHEMBL4446703 0.81 SLC6A4 (0.56) MEN1POLBKMT2AMMP2MMP9
SCHEMBL14098013 0.80 IDO1 (0.43) IDO1MEN1POLBKMT2AMMP2
SCHEMBL7108668 0.80 KMT2A (0.49) IDO1MEN1POLBKMT2AMMP2
SCHEMBL14098030 0.80 IDO1 (0.43) IDO1MMP2MMP9MMP12SLC6A4
SCHEMBL14098342 0.78 HTR1A (0.52) MEN1POLBKMT2AMMP2MMP9
SCHEMBL14138591 0.78 IDO1 (0.41) IDO1MEN1POLBKMT2AMMP2

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
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 IDO1 2322/4885MEN1 4726/4885POLB 4657/4885

“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.