SCHEMBL3013586

SCHEMBL3013586

COC(=O)c1ccc(C#CC#CC(C)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.52
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 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
SCHEMBL17898139 0.89 PTPN11 (0.50) PTPN11TSHRTDP1ALDH1A1KDM4E
SCHEMBL15382499 0.89 PTPN11 (0.53) PTPN11TSHRTDP1ALDH1A1KDM4E
SCHEMBL10412465 0.87 PTPN11 (0.60) PTPN11TSHRTDP1ALDH1A1KDM4E
SCHEMBL16820808 0.84 PTPN11 (0.46) PTPN11TSHRTDP1ALDH1A1KDM4E
SCHEMBL16840488 0.84 PTPN11 (0.46) PTPN11TSHRTDP1ALDH1A1KDM4E
SCHEMBL16820845 0.84 PTPN11 (0.46) PTPN11TSHRTDP1ALDH1A1KDM4E
SCHEMBL16840487 0.84 PTPN11 (0.46) PTPN11TSHRTDP1ALDH1A1KDM4E
SCHEMBL16820634 0.83 RARB (0.50) PTPN11TSHRALDH1A1CA1CA2
SCHEMBL404435 0.83 TSHR (0.62) PTPN11TSHRTDP1ALDH1A1KDM4E
SCHEMBL16820635 0.83 RARB (0.50) PTPN11TSHRALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981867-B1 METHOD FOR PREPARING PROSTAGLANDIN DERIVATIVE R-TECH UENO LTD (JP) 2017-06-14 EP disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2735566-A1 Method for preparing prostaglandin derivative R-Tech Ueno, Ltd. (JP) 2014-05-28 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20130184476-A1 PREPARATION OF LUBIPROSTONE DR. REDDY'S LABORATORIES LTD. (IN) 2013-07-18 US disclosed
US-8389748-B2 Method for preparing prostaglandin derivative SUCAMPO AG (CH) 2013-03-05 US disclosed
EP-0507625-B1 Method of producing alpha, beta unsaturated ketolactones R TECH UENO LTD (JP) 1996-08-28 EP disclosed
US-5468880-A Method of producing α, β-unsaturated ketones KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1995-11-21 US disclosed
EP-0444844-B1 New 15-dehydroxy-16-oxoprostaglandins R TECH UENO LTD (JP) 1995-01-18 EP disclosed
US-5229529-A Method of producing α,β-unsaturated ketolactones R-TECH UENO LTD. (JP) 1993-07-20 US disclosed
US-5221763-A 13,14-dihydro-15-keto-PGFs and salts R-TECH UENO, LTD. (JP) 1993-06-22 US disclosed
US-5221799-A New 15-dehydroxy-16-oxoprostaglandins K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1993-06-22 US disclosed
EP-0507625-A1 Method of producing alpha, beta unsaturated ketolactones R-TECH UENO LTD. (JP) 1992-10-07 EP disclosed
US-5106869-A Vasopressor activity without ephemeral vasorelaxation; no effect on trachea, intestine K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1992-04-21 US disclosed
EP-0289349-B1 PROSTAGLANDINS OF THE F SERIES Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-01-29 EP disclosed
EP-0289349-A1 Prostaglandins of the F series Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1988-11-02 EP 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 PTPN11 3418/4885TSHR 4087/4885TDP1 3843/4885
US-20130184476-A1 PREPARATION OF LUBIPROSTONE PTGIR, PTGIS, VASP PTPN11 2317/4885TSHR 2143/4885TDP1 3703/4885

“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.