SCHEMBL431983

SCHEMBL431983

O=C(O)CCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
TOP1 P11387 1/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TBXA2R P21731 1/20 0.42

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
Bromide SCHEMBL431069 0.98 NPSR1 (0.49) NPSR1TOP1HDAC3HDAC4HDAC1
SCHEMBL11072301 0.98 NPSR1 (0.49) NPSR1TOP1HDAC3HDAC4HDAC1
SCHEMBL13587656 0.95 NPSR1 (0.53) NPSR1TOP1HDAC3HDAC4HDAC1
SCHEMBL9310464 0.93 NPSR1 (0.56) NPSR1TOP1HDAC3HDAC4HDAC1
SCHEMBL4139139 0.89 NPSR1 (0.44) NPSR1TOP1HDAC3HDAC4HDAC1
SCHEMBL431068 0.86 HSP90AA1 (0.38) NPSR1TOP1HDAC3HDAC4HDAC1
Potassium Ion SCHEMBL5386445 0.84 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11072297 0.84 HDAC3 (0.50) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10666125 0.82 POLB (0.49) SMN1; SMN2MAPTALDH1A1PPARGKMT2A
SCHEMBL11663970 0.81 ALDH1A1 (0.42) NPSR1MAPK1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012011128-A1 PREPARATION OF PROSTAGLANDIN DERIVATIVES APTUIT LAURUS PRIVATE LIMITED (IN) 2012-01-26 WO claimed
US-7166730-B2 Process for the preparation of prostaglandin derivatives FINE TECH LABORATORIES, LTD (IL) 2007-01-23 US claimed
US-7157590-B2 Chemical intermediate for vision defect drug FINETECH LABORATORIES LTD. (IL) 2007-01-02 US claimed
US-20050209337-A1 Process for the preparation of prostaglandin derivatives FINETECH LABORATORIES LTD 2005-09-22 US claimed
US-6927300-B2 Process for the preparation of Latanoprost FINETECH LABORATORIES LTD (IL) 2005-08-09 US claimed
US-20040171873-A1 Process for the preparation of 17-phenyl-18,19,20-thinor-pgf 2a and its derivatives FINETECH PHARMACEUTICAL LTD. (IL) 2004-09-02 US claimed
EP-1397347-A2 PREPARATION OF 17-PHENYL- 18, 19, 20- TRINOR-PGF2A AND ITS DERIVATIVES Finetech Laboratories Ltd. (IL) 2004-03-17 EP claimed
US-20030149294-A1 Process for the preparation of latanoprost FINETECH PHARMACEUTICALS LTD. (IL) 2003-08-07 US claimed
WO-2002096868-A2 PREPARATION OF 17-PHENYL- 18, 19, 20- TRINOR-PGF2A AND ITS DERIVATIVES FINETECH LABORATORIES LTD. (IL) 2002-12-05 WO claimed
US-20140212441-A1 PHARMACEUTICAL COMPOSITION FOR INFLAMMATORY DISEASES, ALLERGIC DISEASES AND AUTOIMMUNE DISEASES R-TECH UENO, LTD. (JP) 2014-07-31 US disclosed
US-20140194497-A1 COMPOSITION AND METHOD FOR SCALP AND HAIR TREATMENT R-TECH UENO, LTD. (JP) 2014-07-10 US disclosed
US-20110288179-A1 BIMATOPROST CRYSTALLINE FORM I FINETECH PHARMACEUTICAL LTD. (IL) 2011-11-24 US disclosed
US-7947740-B2 Bimatoprost crystalline form I FINETECH PHARMACEUTICAL LTD (IL) 2011-05-24 US disclosed
US-7947740-B2 Bimatoprost crystalline form I FINETECH PHARMACEUTICAL LTD (IL) 2011-05-24 US disclosed
US-4140712-A 20-Hydroxy-prostaglandins ONO PHARMACEUTICAL COMPANY (JP) 1979-02-20 US disclosed
US-4117119-A 15-CYCLOBUTYL-PROSTAGLANDINS ONO PHARMACEUTICAL COMPANY (JP) 1978-09-26 US disclosed
US-4110341-A Dithio prostaglandin derivatives ONO PHARMACEUTICAL COMPANY (JP) 1978-08-29 US disclosed
US-4045468-A GASTRIC ULCERS ONO PHARMACEUTICAL COMPANY (JA) 1977-08-30 US disclosed
US-4024174-A MEDICINE ONO PHARMACEUTICAL COMPANY (JA) 1977-05-17 US disclosed
US-3966792-A Prostaglandin compounds ONO PHARMACEUTICAL CO., LTD. (JA) 1976-06-29 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 (6 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-20050209337-A1 Process for the preparation of prostaglandin derivatives PTGIS, PTGES, PTGIR NPSR1 514/4885TOP1 2803/4885HDAC3 4201/4885
US-20140194497-A1 COMPOSITION AND METHOD FOR SCALP AND HAIR TREATMENT PTGER3, PTGDR2, HSD3B2 NPSR1 2303/4885TOP1 1422/4885HDAC3 451/4885
US-20040171873-A1 Process for the preparation of 17-phenyl-18,19,20-thinor-pgf 2a and its derivatives PTGIS, PTGS2, PTGES2 NPSR1 2737/4885TOP1 703/4885HDAC3 4672/4885
US-20110288179-A1 BIMATOPROST CRYSTALLINE FORM I PTGER1, BBC3, CYP2A7 NPSR1 1521/4885TOP1 155/4885HDAC3 4064/4885
US-20030149294-A1 Process for the preparation of latanoprost PTGIS, PTGIR, PTGES NPSR1 3462/4885TOP1 1324/4885HDAC3 4542/4885
US-20140212441-A1 PHARMACEUTICAL COMPOSITION FOR INFLAMMATORY DISEASES, ALLERGIC DISEASES AND AUTOIMMUNE DISEASES IL5, ALOX5, TSLP NPSR1 2646/4885TOP1 3624/4885HDAC3 1028/4885

“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.