SCHEMBL4940168

SCHEMBL4940168

O=C(Cc1ccccc1)CP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
LAP3 P28838 3/20 0.46
ANPEP P15144 1/20 0.46
PAM P19021 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.44
ACP3 P15309 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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
SCHEMBL4911400 0.84 GGPS1 (0.51)
SCHEMBL1685302 0.80 KEAP1 (0.55) L3MBTL1ALDH1A1MAPK1ANPEPHDAC8
SCHEMBL77563 0.79 CES1 (0.70) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL4944887 0.78 CTBP2 (0.51) MEN1KMT2AALDH1A1HDAC8HDAC6
SCHEMBL9041685 0.77 HDAC1 (0.58) CES1MAPK1HDAC8HDAC6TDP1
SCHEMBL21171794 0.77 S1PR2 (0.47) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL758293 0.77 TSHR (0.47) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL2208952 0.77 CETP (0.48) CES1CES2AKR1B1L3MBTL1ALDH1A1
SCHEMBL9693670 0.77 CES1 (0.67) CES1CES2AKR1B1MEN1KMT2A
Hydrochloric Acid SCHEMBL27690655 0.77 CES1 (0.67) CES1CES2AKR1B1MEN1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
WO-2021252640-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed
US-20150250792-A1 ALPHA HYDROXY AMIDES MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
US-7419999-B2 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-09-02 US disclosed
CN-101189248-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-28 CN disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed
CN-1882327-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2006-12-20 CN disclosed
EP-1556347-A4 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2006-08-09 EP disclosed
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-12-29 US disclosed
EP-1556347-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2005-07-27 EP disclosed
US-4036832-A 15-Substituted-ω-pentanorprostaglandins PFIZER INC. (US) 1977-07-19 US disclosed
US-4035360-A TISSUE SPECIFICITY, CRYSTALLINE PFIZER INC. (US) 1977-07-12 US disclosed
US-4029814-A ANTIULCER, ANTICOAGULANT, DECONGESTANT, OXYTOCIC THE UPJOHN COMPANY (US) 1977-06-14 US disclosed
US-4018892-A Bone deposition by 16-aryl-13,14-dihydro-PGE2 p-biphenyl esters PFIZER INC. (US) 1977-04-19 US disclosed
US-4011262-A 13,14-Dihydro-15-substituted-ω-pentanorprostaglandins of the two series PFIZER INC. (US) 1977-03-08 US disclosed
US-4000309-A Bone deposition by 16-aryl-13,14-dihydro-PGE2 p-biphenyl esters PFIZER INC. (US) 1976-12-28 US disclosed
US-3984424-A MEDICAMENTS PFIZER INC. (US) 1976-10-05 US disclosed
US-3982016-A Bone deposition by 16-aryl-13,14-dihydro-PGE2 p-biphenyl esters PFIZER INC. (US) 1976-09-21 US disclosed
US-3971826-A 15-Substituted-ω-pentanorprostaglandins PFIZER INC. (US) 1976-07-27 US disclosed
US-3932389-A ANTIULCER AGENTS PFIZER INC. (US) 1976-01-13 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 (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-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME ASNS, SI, NARS1 CES1 954/4885CES2 2523/4885AKR1B1 1499/4885
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof PGF, HPGDS, PTGIS CES1 927/4885CES2 2628/4885AKR1B1 1925/4885
US-20150250792-A1 ALPHA HYDROXY AMIDES HCAR1, NAA40, HCAR2 CES1 224/4885CES2 805/4885AKR1B1 73/4885

“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.