SCHEMBL17199829

SCHEMBL17199829

COc1cccc(-n2c3ccccc3c3ccccc32)c1P(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.38
ALDH1A1 P00352 3/20 0.37
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 5/20 0.36
HTR7 P34969 5/20 0.36
HTR1D P28221 4/20 0.36
HTR1B P28222 4/20 0.36
HTR2A P28223 4/20 0.36
HTR2B P41595 4/20 0.36
HTR5A P47898 2/20 0.36
KCNH2 Q12809 2/20 0.36
METAP2 P50579 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
Hydrochloric Acid SCHEMBL17200832 0.97 HTR2C (0.37) HTR2CALDH1A1ATP4AATP4BHTR6
SCHEMBL17212363 0.83 MAPT (0.41) HTR2CALDH1A1ATP4AATP4BMAPT
SCHEMBL28181208 0.80 MGLL (0.47) HTR2CALDH1A1HTR6MAPTMEN1
SCHEMBL19058878 0.80 ALDH1A1 (0.38) HTR2CALDH1A1HTR6MAPTHTR1A
SCHEMBL17199827 0.79 ALDH1A1 (0.41) HTR2CALDH1A1HTR6MAPTMEN1
SCHEMBL17212359 0.79 ALDH1A1 (0.37) HTR2CALDH1A1HTR6MAPTHTR1A
SCHEMBL17529687 0.78 CA1 (0.46) HTR2CALDH1A1MAPTKMT2ATDP1
SCHEMBL27872644 0.78 NFE2L2 (0.42) ALDH1A1MAPTMEN1KMT2AMETAP2
SCHEMBL17212360 0.78 JAK2 (0.43) HTR2CALDH1A1MAPTHTR1AHTR7
SCHEMBL17208983 0.77 MTNR1A (0.39) HTR2CALDH1A1HTR6MAPTMEN1

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 6 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
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
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 HTR2C 4670/4885ALDH1A1 4695/4885ATP4A 656/4885

“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.