SCHEMBL2216141

SCHEMBL2216141

CCCCCn1c2ccccc2c2cc(CCCCCB(O)O)ccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.61
RORC P51449 2/20 0.61
RORB Q92753 2/20 0.61
CNR2 P34972 14/20 0.56
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
CNR1 P21554 1/20 0.47
PGR P06401 2/20 0.47

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
SCHEMBL14405501 0.82 RORA (0.61) RORARORCRORBCNR2PSEN1
SCHEMBL20760749 0.81 RORA (0.61) RORARORCRORBCNR2PSEN1
SCHEMBL3011106 0.81 PGR (0.68) RORARORCRORBCNR2PSEN1
SCHEMBL28304215 0.81 PGR (0.68) RORARORCRORBCNR2PSEN1
SCHEMBL28305156 0.81 PGR (0.68) RORARORCRORBCNR2PSEN1
SCHEMBL28304199 0.81 PGR (0.68) RORARORCRORBCNR2PSEN1
SCHEMBL4779301 0.81 FABP4 (0.56)
SCHEMBL21042574 0.81 RORA (0.60) RORARORCRORBCNR2PSEN1
SCHEMBL5795461 0.80 PGR (0.70) RORARORCRORBCNR2PSEN1
Boric Acid SCHEMBL28519644 0.79 CNR2 (0.58) RORARORCRORBCNR2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283855-B2 Method for synthesis of anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US claimed
US-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-14 US claimed
US-8283855-B2 Method for synthesis of anthracene derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-10-09 US disclosed
US-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-07-14 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 (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-20110172441-A1 METHOD FOR SYNTHESIS OF ANTHRACENE DERIVATIVE CYP1A1, AHR, CYP2C9 RORA 834/4885RORC 1153/4885RORB 1087/4885

“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.