SCHEMBL1449787

SCHEMBL1449787

c1ccc2c(OP(Oc3cccc4ccccc34)Oc3cccc4ccccc34)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KCNA3 P22001 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 3/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1D P28221 1/20 0.44
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A4 P31645 2/20 0.43
CYP1A2 P05177 2/20 0.43
HRH1 P35367 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL31556331 1.00 HTR1B (0.48) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL6865702 0.92 HTR1B (0.43) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL10929913 0.90 KCNA3 (0.51) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL21381123 0.88 KCNA3 (0.46) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL8956096 0.88 ALDH1A1 (0.52) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL9328250 0.87 HTR1B (0.43) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL1604278 0.87 HTR1B (0.43) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL13839483 0.85 CDC25B (0.50) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL8487339 0.85 TNF (0.41) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL13839460 0.84 HTR1B (0.38) HTR1BALDH1A1KDM4ETDP1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
US-9678225-B1 High-symmetry organic scintillator systems NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2017-06-13 US claimed
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US claimed
EP-1713757-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-10-25 EP claimed
EP-1313823-A4 PHOSPHITE COKE INHIBITORS FOR EDC-VCM FURNACES ONDEO NALCO ENERGY SERV LP (US) 2006-04-05 EP claimed
US-20050215825-A1 Hydroaminomethylation of olefins UNION CARBIDE CORPORATION 2005-09-29 US claimed
WO-2005077884-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-08-25 WO claimed
US-20050084204-A1 Digital dyes based on electrochemical redox reactions HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. 2005-04-21 US claimed
JP-2004506655-A 2004-03-04 JP claimed
EP-1313823-A1 PHOSPHITE COKE INHIBITORS FOR EDC-VCM FURNACES ONDEO NALCO ENERGY SERVICES, L.P. (US) 2003-05-28 EP claimed
US-6368494-B1 ANTIDEPOSIT AGENTS NALCO/EXXON ENERGY CHEMICALS, L.P. 2002-04-09 US claimed
WO-2002014454-A1 PHOSPHITE COKE INHIBITORS FOR EDC-VCM FURNACES ONDEO NALCO ENERGY SERVICES, L.P. (US) 2002-02-21 WO claimed
WO-2001051441-A1 HYDROFORMYLATION METHOD FOR MAKING ALDEHYDES FROM STERICALLY HINDERED OLEFINS EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO claimed
US-5858907-A Nickel phosphite catalysts MAXDEM, INCORPORATED (US) 1999-01-12 US claimed
WO-1996039455-A1 NICKEL PHOSPHITE CATALYSTS MAXDEM INCORPORATED (US) 1996-12-12 WO claimed
US-4400547-A LIGANDIZING REACTOR EFFLUENT TO PREVENT CATALYST LOSS THROUGH PLATING EASTMAN KODAK COMPANY (US) 1983-08-23 US claimed
US-4195042-A Rhodium hydroformylation catalyst PHILLIPS PETROLEUM COMPANY (US) 1980-03-25 US claimed
US-3956177-A Rhodium hydroformylation catalyst PHILLIPS PETROLEUM COMPANY (US) 1976-05-11 US claimed
US-6444863-B1 None US disclosed
US-3944603-A AND PROPIONIC ANHYDRIDE FROM ETHYLENE AND CARBON MONOXIDE, IRIDIUM COMPLEX CATALYST MONSANTO COMPANY (US) 1976-03-16 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 (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-20050215825-A1 Hydroaminomethylation of olefins HRH2, HRH4, HRH1 HTR1B 610/4885ALDH1A1 1249/4885KDM4E 3389/4885

“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.