SCHEMBL3011106

SCHEMBL3011106

CCCCCCCn1c2ccccc2c2cc(CO)ccc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.68
CNR2 P34972 11/20 0.64
PSEN1 P49768 6/20 0.60
PSEN2 P49810 6/20 0.60
APH1B Q8WW43 6/20 0.60
NCSTN Q92542 6/20 0.60
APH1A Q96BI3 6/20 0.60
PSENEN Q9NZ42 6/20 0.60
RORA P35398 2/20 0.56
RORC P51449 2/20 0.56
RORB Q92753 2/20 0.56
CNR1 P21554 1/20 0.54

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
SCHEMBL28305156 1.00 PGR (0.68) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL28304215 1.00 PGR (0.68) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL28304199 1.00 PGR (0.68) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL5795461 0.99 PGR (0.70) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL5514950 0.92 PSEN1 (0.60) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL5807330 0.88 PGR (0.63) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL5527461 0.84 PSEN1 (0.60) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL551644 0.84 PSEN1 (0.62) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL9976723 0.84 PSEN1 (0.62) PGRCNR2PSEN1PSEN2APH1B
SCHEMBL9905344 0.84 PSEN1 (0.62) PGRCNR2PSEN1PSEN2APH1B

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-20100204356-A1 POLYURETHANES, POLYUREAS, AND PROCESS FOR THEIR PRODUCTION KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2010-08-12 US disclosed
CN-101802045-A Polyurethane and polyurea, and method for producing the same TOYOTA JIDOSHOKKI KK 2010-08-11 CN disclosed
EP-2192137-A1 POLYURETHANE AND POLYUREA, AND METHOD FOR PRODUCING THE SAME Kabushiki Kaisha Toyota Jidoshokki (JP) 2010-06-02 EP 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-20100204356-A1 POLYURETHANES, POLYUREAS, AND PROCESS FOR THEIR PRODUCTION PUF60, PDCD2L, UROD PGR 922/4885CNR2 3027/4885PSEN1 1689/4885

“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.