SCHEMBL17115459

SCHEMBL17115459

CCCCCCCCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.42
RORA P35398 1/20 0.42
RORB Q92753 1/20 0.42
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGER4 P35408 1/20 0.35
CNR2 P34972 2/20 0.35
CYP19A1 P11511 3/20 0.34

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
SCHEMBL17115487 0.98 CYP1A2 (0.42) RORCRORARORBTSHRHSD17B10
SCHEMBL17115483 0.98 CYP1A2 (0.42) RORCRORARORBTSHRHSD17B10
SCHEMBL17115382 0.96 TSHR (0.42) RORCRORARORBTSHRHSD17B10
SCHEMBL17115366 0.93 TSHR (0.40) RORCRORARORBTSHRHSD17B10
SCHEMBL17115378 0.89 TSHR (0.39) RORCRORARORBTSHRHSD17B10
SCHEMBL17115466 0.89 RORA (0.36) RORCRORARORBTSHRHSD17B10
SCHEMBL19961421 0.88 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19
SCHEMBL17115468 0.86 RORC (0.42) RORCRORARORBTSHRHSD17B10
SCHEMBL17115343 0.85 RORA (0.35) RORCRORARORBTSHRHSD17B10
SCHEMBL18707022 0.84 HPGD (0.33) RORCPTGER4CNR2

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
US-20170098781-A1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO., LTD. (JP) 2017-04-06 US 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 RORC 3522/4885RORA 4148/4885RORB 3782/4885

“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.