SCHEMBL19252734

SCHEMBL19252734

O=P(O)(C=Cc1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL541471 0.74 HDAC1 (0.48) ALDH1A1LMNAMAPTHDAC1HDAC3
SCHEMBL9815253 0.74 HDAC1 (0.48) ALDH1A1LMNAMAPTHDAC1HDAC3
SCHEMBL233260 0.74 HDAC1 (0.48) ALDH1A1LMNAMAPTHDAC1HDAC3
SCHEMBL9815254 0.74 HDAC1 (0.48) ALDH1A1LMNAMAPTHDAC1HDAC3
SCHEMBL778914 0.74 PTPN1 (0.40) PTPN1ALDH1A1LMNAMAPTS1PR4
SCHEMBL23405477 0.72 HDAC1 (0.46) ALDH1A1LMNAMAPTHDAC1HDAC3
Water SCHEMBL9439968 0.72 HDAC1 (0.46) ALDH1A1LMNAMAPTHDAC1HDAC3
SCHEMBL23405502 0.72 HDAC1 (0.46) ALDH1A1LMNAMAPTHDAC1HDAC3
SCHEMBL23405490 0.72 HDAC1 (0.46) ALDH1A1LMNAMAPTHDAC1HDAC3
SCHEMBL27406196 0.72 HDAC1 (0.47) ALDH1A1LMNAMAPTHDAC1HDAC3

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-RE48165-E1 Alkenyl (perfluoroalkyl) phosphinic acids MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids MERCK PATENT GMBH (DE) 2018-12-25 US disclosed
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS MERCK PATENT GMBH (DE) 2017-08-24 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 (2 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-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids PHOSPHO1, PFAS, SLCO4C1 PTPN1 853/4885ALDH1A1 4088/4885LMNA 2380/4885
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS PHOSPHO1, PFAS, SLCO4C1 PTPN1 853/4885ALDH1A1 4088/4885LMNA 2380/4885

“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.