SCHEMBL79996

SCHEMBL79996

O=P(OCc1ccccc1)(OCc1ccccc1)OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
CETP P11597 3/20 0.47
ELANE P08246 1/20 0.45
IDO1 P14902 1/20 0.44
SRC P12931 1/20 0.44
PDPK1 O15530 1/20 0.43
MTOR P42345 1/20 0.43
AGXT P21549 1/20 0.43
ALPG P10696 1/20 0.43
PTK2B Q14289 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
FOLH1 Q04609 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41

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
SCHEMBL206609 0.91 TSHR (0.68) TSHRCETPELANEIDO1SRC
SCHEMBL28555680 0.89 TSHR (0.61) TSHRCETPELANESRCPDPK1
SCHEMBL10408383 0.88 TSHR (0.66) TSHRCETPELANESRCPDPK1
SCHEMBL10200001 0.88 TSHR (0.55) TSHRCETPELANEIDO1SRC
SCHEMBL6749263 0.86 TSHR (0.75) TSHRCETPELANESRCPDPK1
SCHEMBL5379773 0.84 TSHR (0.61) TSHRCETPELANEIDO1SRC
SCHEMBL11624100 0.84 TSHR (0.47) TSHRCETPELANEIDO1SRC
SCHEMBL991032 0.83 TSHR (0.59) TSHRCETPELANEIDO1SRC
SCHEMBL15689772 0.83 TSHR (0.59) TSHRCETPELANEIDO1SRC
SCHEMBL20123381 0.83 TSHR (0.59) TSHRCETPELANEIDO1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116902-A1 NOVEL COMPOUND AS FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 NEXTGEN BIOSCIENCE CO., LTD. (KR) 2026-04-30 US claimed
US-20250320240-A1 SCALABLE METHODS OF MANUFACTURING PSILOCYBIN COMPASS PATHFINDER LTD (GB) 2025-10-16 US claimed
WO-2025215243-A1 SCALABLE METHODS OF MANUFACTURING PSILOCYBIN COMPASS PATHFINDER LIMITED (GB) 2025-10-16 WO claimed
WO-2025107822-A1 POSITIVE ELECTRODE ACTIVE MATERIAL AND PREPARATION METHOD THEREFOR, BATTERY, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2025-05-30 WO claimed
CN-120048867-A Positive electrode active material, preparation method thereof, battery and electricity utilization device 宁德时代新能源科技股份有限公司 2025-05-27 CN claimed
CN-114380859-B Preparation method of dibenzyl phosphate and tetrabenzyl pyrophosphate 威智医药股份有限公司 2024-11-01 CN claimed
US-20240199660-A1 PREPARATION OF PSILOCYBIN, DIFFERENT POLYMORPHIC FORMS, INTERMEDIATES, FORMULATIONS AND THEIR USE COMPASS PATHFINDER LIMITED (GB) 2024-06-20 US claimed
CN-113603721-B Method for synthesizing SAICAR 重庆文理学院 2023-12-01 CN claimed
CN-113583044-B Preparation method of medicine for preventing chemotherapy-related nausea and vomiting 山东罗欣药业集团股份有限公司 2023-11-14 CN claimed
US-11505564-B2 Preparation of psilocybin, different polymorphic forms, intermediates, formulations and their use COMPASS PATHFINDER LIMITED (GB) 2022-11-22 US claimed
JP-2001508428-A 2001-06-26 JP claimed
EP-0948504-A1 PREPARATION OF CYANOPHOSPHONATES FROM PYROPHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1999-10-13 EP claimed
US-5859278-A Method for preparing cyanophosphonate derivatives from pyrophosphate or polyphosphate esters and cyanide MONSANTO COMPANY (US) 1999-01-12 US claimed
WO-1998029420-A1 PREPARATION OF CYANOPHOSPHONATES FROM PYROPHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1998-07-09 WO claimed
US-5292913-A Labeling with deuterium or tritium MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-03-08 US claimed
EP-0583698-A2 Deoxycyclitol derivatives, process for their preparation and their use in medicaments Bayer Pharma (FR) 1994-02-23 EP claimed
US-5233023-A Phosphorylating with tetrabenzyl pyrophosphate, debenzylating by hydrogenolysis MERCK & CO., INC. (US) 1993-08-03 US claimed
EP-0525889-A1 Process for phosphate ester compounds of certain cyclohexapeptides MERCK & CO. INC. (US) 1993-02-03 EP claimed
EP-0262227-B1 PROCESS FOR THE PREPARATION OF MYOINOSITOL DERIVATIVES MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP claimed
EP-0262227-A1 Process for the preparation of myoinositol derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-04-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20260116902-A1 NOVEL COMPOUND AS FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 S1PR1, S1PR4, S1PR3 TSHR 843/4885CETP 667/4885ELANE 4402/4885
US-11505564-B2 Preparation of psilocybin, different polymorphic forms, intermediates, formulations and their use HTR1B, HTR2B, HTR5A TSHR 4817/4885CETP 604/4885ELANE 4859/4885
US-20250320240-A1 SCALABLE METHODS OF MANUFACTURING PSILOCYBIN HTR3C, HTR4, UGT8 TSHR 2837/4885CETP 2106/4885ELANE 4743/4885
US-20240199660-A1 PREPARATION OF PSILOCYBIN, DIFFERENT POLYMORPHIC FORMS, INTERMEDIATES, FORMULATIONS AND THEIR USE HTR1B, HTR2B, HTR5A TSHR 4817/4885CETP 604/4885ELANE 4859/4885

“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.