SCHEMBL20046019

SCHEMBL20046019

CCCCn1c2ccc(C)cc2c2cc(C#N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORA P35398 4/20 0.56
RORC P51449 4/20 0.56
RORB Q92753 4/20 0.56
PGR P06401 3/20 0.56
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
SCARB1 Q8WTV0 2/20 0.42
TLR8 Q9NR97 2/20 0.41
CNR2 P34972 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
PTGER4 P35408 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38

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
SCHEMBL11752123 0.93 DRD2 (0.50) RORARORCRORBPGRDRD2
SCHEMBL12374352 0.86 RORA (0.69) RORARORCRORBPGRTLR8
SCHEMBL12593203 0.81 RORA (0.63) RORARORCRORBPGRTLR8
SCHEMBL15396934 0.80 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL12593202 0.80 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL14261677 0.80 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL18055752 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP2A6
SCHEMBL12284774 0.80 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL13503151 0.80 RORA (0.61) RORARORCRORBPGRTLR8
SCHEMBL804880 0.80 RORA (0.61) RORARORCRORBPGRTLR8

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-10759802-B2 Compound, preparation method thereof and organic light emitting display device Shanghai Tianma AM-OLED Co., Ltd. (CN) 2020-09-01 US disclosed
US-20180099968-A1 COMPOUND, PREPARATION METHOD THEREOF AND ORGANIC LIGHT EMITTING DISPLAY DEVICE Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-04-12 US disclosed
US-20180099968-A1 COMPOUND, PREPARATION METHOD THEREOF AND ORGANIC LIGHT EMITTING DISPLAY DEVICE Shanghai Tianma AM-OLED Co., Ltd. (CN) 2018-04-12 US 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 (2 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-10759802-B2 Compound, preparation method thereof and organic light emitting display device OCIAD1, OCIAD2, AOX1 RORA 298/4885RORC 549/4885RORB 271/4885
US-20180099968-A1 COMPOUND, PREPARATION METHOD THEREOF AND ORGANIC LIGHT EMITTING DISPLAY DEVICE OCIAD1, OCIAD2, AOX1 RORA 298/4885RORC 549/4885RORB 271/4885

“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.