SCHEMBL17115487

SCHEMBL17115487

CCCCCCCCc1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc1n2-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
RORC P51449 3/20 0.41
RORA P35398 1/20 0.41
RORB Q92753 1/20 0.41
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE10A Q9Y233 1/20 0.35
PTGER4 P35408 1/20 0.34
CNR2 P34972 2/20 0.34
CYP19A1 P11511 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
SCHEMBL17115483 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19RORCRORA
SCHEMBL17115459 0.98 RORC (0.42) CYP1A2CYP2D6CYP2C19RORCRORA
SCHEMBL17115382 0.95 TSHR (0.42) CYP1A2CYP2D6CYP2C19RORCRORA
SCHEMBL17115366 0.91 TSHR (0.40) CYP1A2CYP2D6CYP2C19RORCRORA
SCHEMBL19961421 0.90 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19PDE10A
SCHEMBL17115378 0.88 TSHR (0.39) RORCRORARORBTSHRHSD17B10
SCHEMBL17115466 0.87 RORA (0.36) CYP1A2CYP2D6CYP2C19RORCRORA
SCHEMBL17115477 0.85 HPGD (0.33) CYP1A2CYP2D6CYP2C19RORCPTGER4
SCHEMBL17115482 0.85 HPGD (0.33) CYP1A2CYP2D6CYP2C19RORCPTGER4
SCHEMBL17705058 0.85 TNKS (0.39) RORCPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 EP disclosed
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 CYP1A2 1444/4885CYP2D6 944/4885CYP2C19 371/4885

“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.