SCHEMBL199923

SCHEMBL199923

CCCCSc1cc(C(C)CC)c(O)c(C(C)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.38
RORC P51449 1/20 0.36
THRB P10828 3/20 0.33
PKM P14618 2/20 0.33
AR P10275 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
GPR84 Q9NQS5 4/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL201566 0.94 THRB (0.40) MAOAMAOBTSHRTHRBGPR84
SCHEMBL202462 0.94 THRB (0.40) MAOAMAOBTSHRTHRBGPR84
SCHEMBL202579 0.89 MAOA (0.40) MAOAMAOBTHRBPKMAR
SCHEMBL201770 0.86 CA1 (0.45) MAOAMAOBTSHRPKMAR
SCHEMBL201193 0.86 GPR84 (0.39) MAOAMAOBTHRBGPR84SMN1; SMN2
SCHEMBL199922 0.85 MAOA (0.41) MAOAMAOBTSHRTHRBPKM
SCHEMBL202293 0.83 THRB (0.39) MAOAMAOBTHRBGPR84SMN1; SMN2
SCHEMBL199866 0.83 THRB (0.39) MAOAMAOBTHRBGPR84SMN1; SMN2
SCHEMBL200272 0.83 THRB (0.39) MAOAMAOBTHRBGPR84SMN1; SMN2
SCHEMBL200149 0.83 THRB (0.39) MAOAMAOBTHRBGPR84SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10230023-B2 Color converter BASF SE (DE) 2019-03-12 US disclosed
EP-2718395-B1 Novel illumination device comprising a colour converter BASF SE (DE) 2018-02-28 EP disclosed
US-20160284947-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2016-09-29 US disclosed
US-9406848-B2 Color converter BASF SE (DE) 2016-08-02 US disclosed
EP-1917311-B1 Rylene based multiple chromophores BASF SE (DE) 2015-09-23 EP disclosed
EP-2718395-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2014-04-16 EP disclosed
WO-2012168395-A1 NOVEL COLOR CONVERTER BASF SE (DE) 2012-12-13 WO disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-1904497-B1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2011-08-17 EP disclosed
US-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2011-07-07 US disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-20100022021-A1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS BASF SE (DE) 2010-01-28 US disclosed
EP-1917311-A2 MULTIPLE CHROMOPHORES BASF SE (DE) 2008-05-07 EP disclosed
EP-1904497-A1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2008-04-02 EP disclosed
WO-2007014902-A2 MULTIPLE CHROMOPHORES BASED ON RYLENE BASF SE (DE) 2007-02-08 WO disclosed
WO-2007006717-A1 SUBSTITUTED RYLENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 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 (3 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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 MAOA 1421/4885MAOB 732/4885TSHR 1062/4885
US-20100022021-A1 NEW AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE MAOA 1688/4885MAOB 1016/4885TSHR 861/4885
US-20110165691-A1 AZIDE SUBSTITUTED NAPHTHYLENE OR RYLENE IMIDE DERIVATIVES AND THEIR USE AS REAGENTS IN CLICK-REACTIONS NANS, NANP, GNE MAOA 1675/4885MAOB 901/4885TSHR 531/4885

“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.