SCHEMBL1008919

SCHEMBL1008919

COCCCCCCC[O]

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.34
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL1006574 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL425479 1.00
SCHEMBL7979768 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL1008577 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL7610633 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL1006326 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL430013 1.00
SCHEMBL429617 0.97
SCHEMBL7413040 0.92 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL4392852 0.88 ALDH1A1 (0.41) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US claimed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP claimed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO claimed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7112565-B2 Stabilized pharmaceutical composition in lyophilized form ASTELLAS PHARMA INC. (JP) 2006-09-26 US disclosed
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
US-20050124536-A1 Antifungal combination use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-09 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed
US-4532239-A N-phenoxypropanol-N'-pyridazinyl ethylendiamines as β-receptor blockers CASSELLA AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0054946-B1 BASIC SUBSTITUTED PYRIDAZINES, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1984-08-15 EP disclosed
EP-0054946-A1 Basic substituted pyridazines, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1982-06-30 EP disclosed
US-4216314-A CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) 1980-08-05 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 (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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 ALDH1A1 3841/4885TSHR 3849/4885LPAR3 2991/4885
US-20050124536-A1 Antifungal combination use ERG28, MAN2A1, ERP44 ALDH1A1 4882/4885TSHR 4771/4885LPAR3 2679/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 ALDH1A1 1168/4885TSHR 884/4885LPAR3 1581/4885
US-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 ALDH1A1 4014/4885TSHR 3903/4885LPAR3 961/4885

“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.