SCHEMBL17115477

SCHEMBL17115477

CCCCC(CC)Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSC P53634 1/20 0.32
RORC P51449 5/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17115482 1.00 HPGD (0.33) HPGDMAPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL18707022 0.98 HPGD (0.33) HPGDMAPK1SMN1; SMN2RORCMEN1
SCHEMBL17115381 0.95 PTGER4 (0.33) HPGDMAPK1SMN1; SMN2RORCPTGER4
SCHEMBL17115369 0.92 PTGER4 (0.32) PTGER4
SCHEMBL17115372 0.89 PTGER4 (0.32) HPGDMAPK1SMN1; SMN2PTGER4
SCHEMBL17115461 0.88
SCHEMBL20115845 0.88 CYP1A2 (0.35) MAPK1CYP1A2CYP2D6CYP2C19RORC
SCHEMBL20115892 0.88 CYP1A2 (0.35) MAPK1CYP1A2CYP2D6CYP2C19RORC
SCHEMBL17115464 0.86 RORC (0.32) RORCPTGER4
SCHEMBL20116773 0.86 PGR (0.35) MAPK1CYP1A2CYP2D6CYP2C19RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170098781-A1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO., LTD. (JP) 2017-04-06 US disclosed
WO-2015140073-A1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO., LTD. (JP) 2015-09-24 WO 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-20170098781-A1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES DBF4, DDT, SLC43A3 HPGD 1982/4885MAPK1 1132/4885SMN1; SMN2 2267/4885

“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.