SCHEMBL4121239

SCHEMBL4121239

O=C(Cl)Cl.c1ccc2cocc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.35
CYP2A6 P11509 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 6/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
ALOX15 P16050 2/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
P2RX4 Q99571 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL240390 0.83
SCHEMBL7167764 0.83 CYP2A6 (0.50) CYP2A6ALOX12ALDH1A1CYP1A2GLA
SCHEMBL8020 0.83
Acetic Acid SCHEMBL7032004 0.82 CES2 (0.41) ALDH1A1CES2CES1ALOX15POLB
Formaldehyde SCHEMBL27427246 0.80 CYP2A6 (0.41) FLT3CYP2A6ALOX12ALDH1A1ALOX15
Naphthalene SCHEMBL17433517 0.80 CYP2A6 (0.57) CYP2A6ALOX12ALDH1A1CES2CES1
Benzene SCHEMBL28992422 0.80 CYP2A6 (0.47) CYP2A6ALOX12ALDH1A1POLBCASP6
Hydrochloric Acid SCHEMBL14058273 0.80 CYP2A6 (0.47) CYP2A6ALOX12ALDH1A1CYP1A2GLA
SCHEMBL27632889 0.80
SCHEMBL2488247 0.80 CYP2A6 (0.47) CYP2A6ALOX12ALDH1A1CYP1A2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
EP-1148050-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2001-10-24 EP disclosed
EP-0641325-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 2001-03-07 EP disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
EP-0957093-A2 Retrovial protease inhibitors MONSANTO COMPANY (US) 1999-11-17 EP disclosed
US-5948790-A VIRICIDES MOSANTO COMPANY (US) 1999-09-07 US disclosed
US-5756534-A Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-05-26 US disclosed
US-5648364-A HETEROCYCLIC PEPTIDE COMPOUNDS AS ENZYME INHIBITORS MONSANTO COMPANY (US) 1997-07-15 US disclosed
US-5643924-A Retroviral protease inhibitors MONSANTO COMPANY OF ST. LOUIS (US) 1997-07-01 US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 WO 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 (5 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 FLT3 2842/4885CYP2A6 2642/4885ALOX12 3538/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 FLT3 4234/4885CYP2A6 1388/4885ALOX12 101/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 FLT3 4285/4885CYP2A6 1543/4885ALOX12 94/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 FLT3 4234/4885CYP2A6 1388/4885ALOX12 101/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 FLT3 3691/4885CYP2A6 2222/4885ALOX12 3633/4885

“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.