SCHEMBL17199817

SCHEMBL17199817

CCCCc1ccccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
PGR P06401 1/20 0.41
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC2A1 P11166 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AGTR1 P30556 1/20 0.40
CNR2 P34972 4/20 0.39
LIPG Q9Y5X9 1/20 0.39
HTR7 P34969 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 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
SCHEMBL28680138 0.93 NR1H2 (0.54) NR1H2NR1H3PGRRORARORC
SCHEMBL6280028 0.89 GPR3 (0.43) NR1H2NR1H3PGRRORARORC
SCHEMBL21420902 0.83 ALDH1A1 (0.52) PGRRORARORCRORBALDH1A1
SCHEMBL27725662 0.83 NR1H2 (0.43) NR1H2NR1H3PGRRORARORC
SCHEMBL262781 0.82 GABRP (0.41) NR1H2NR1H3ALDH1A1KDM4ECNR2
SCHEMBL1725649 0.81 ALDH1A1 (0.40) NR1H2NR1H3ALDH1A1KDM4ECYP1A2
SCHEMBL262720 0.80 GABRP (0.44) ALDH1A1KDM4ECYP1A2SMN1; SMN2HPGD
SCHEMBL262341 0.79 TSPO (0.37) ALDH1A1KDM4ECYP1A2HTTCNR2
SCHEMBL262482 0.79 TSPO (0.37) ALDH1A1KDM4ECYP1A2HTTCNR2
SCHEMBL31305289 0.78 FABP4 (0.54) ALDH1A1KDM4ECYP1A2CYP2D6SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937355-B1 PHOSPHORUS COMPOUND AND TRANSITION METAL COMPLEX OF THE SAME TAKASAGO PERFUMERY CO LTD (JP) 2017-06-28 EP disclosed
EP-2937355-B1 PHOSPHORUS COMPOUND AND TRANSITION METAL COMPLEX OF THE SAME TAKASAGO PERFUMERY CO LTD (JP) 2017-06-28 EP disclosed
US-9416148-B2 Phosphorus compound and transition metal complex of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-08-16 US disclosed
US-9416148-B2 Phosphorus compound and transition metal complex of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-08-16 US disclosed
US-9416148-B2 Phosphorus compound and transition metal complex of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-08-16 US disclosed
US-20150307531-A1 PHOSPHORUS COMPOUND AND TRANSITION METAL COMPLEX OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-10-29 US disclosed
US-20150307531-A1 PHOSPHORUS COMPOUND AND TRANSITION METAL COMPLEX OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-10-29 US disclosed
US-20150307531-A1 PHOSPHORUS COMPOUND AND TRANSITION METAL COMPLEX OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-10-29 US disclosed
EP-2937355-A1 PHOSPHORUS COMPOUND AND TRANSITION METAL COMPLEX OF THE SAME Takasago International Corporation (JP) 2015-10-28 EP disclosed
EP-2937355-A1 PHOSPHORUS COMPOUND AND TRANSITION METAL COMPLEX OF THE SAME Takasago International Corporation (JP) 2015-10-28 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-20150307531-A1 PHOSPHORUS COMPOUND AND TRANSITION METAL COMPLEX OF THE SAME P2RY10, PTH1R, INPP5A NR1H2 3823/4885NR1H3 3860/4885PGR 53/4885

“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.