SCHEMBL87670

SCHEMBL87670

C1CCOCC1.C1CCOCC1

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.89
TSHR P16473 2/20 0.50
TTR P02766 1/20 0.50
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
Tetrahydrofuran SCHEMBL1724146 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
Tetrahydrofuran SCHEMBL11026489 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
Cyclopropane SCHEMBL3744694 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
SCHEMBL2846103 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
SCHEMBL5386353 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
SCHEMBL4788259 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
SCHEMBL2848269 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
SCHEMBL2845030 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
SCHEMBL10713952 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A
SCHEMBL4456224 1.00 ALDH1A1 (0.89) ALDH1A1TSHRTTRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637662-B2 Isoxazolidine derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-28 US claimed
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
EP-2013207-B1 IMIDAZO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS CANCER REC TECH LTD (GB) 2012-04-25 EP disclosed
EP-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
EP-2422183-A2 OXIDATION STATE SENSORS AND METHODS FOR TRANSITION METAL ALLOYS Rolls-Royce PLC (GB) 2012-02-29 EP disclosed
US-20120040467-A1 OXIDATION STATE SENSORS AND METHODS FOR TRANSITION METAL ALLOYS ROLLS-ROYCE PLC 2012-02-16 US disclosed
EP-1330456-B8 N8,N13 -DISUBSTITUTED QUINO[4,3,2-KL]ACRIDINIUM SALTS AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2012-02-08 EP disclosed
US-20120021223-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD. (GB) 2012-01-26 US disclosed
EP-1575955-B1 PYRROLOBENZODIAZEPINES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN LTD (GB) 2011-02-09 EP disclosed
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2011-01-20 US disclosed
EP-2274282-A1 COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS Medical Research Council (GB) 2011-01-19 EP disclosed
EP-2270010-A1 11-HYDROXY-5H-PYRROLO[2,1-C][1,4]BENZODIAZEPIN-5-ONE DERIVATIVES AS KEY INTERMEDIATES FOR THE PREPARATION OF C2 SUBSTITUTED PYRROLOBENZODIAZEPINS Spirogen Limited (GB) 2011-01-05 EP disclosed
US-20050154031-A1 5-Ht2b receptor antagonists PHARMAGENE LABORATORIES LIMITED (GB) 2005-07-14 US disclosed
US-6121311-A Method for treating cocainism JAPAN TOBACCO INC. (JP) 2000-09-19 US disclosed
EP-0996414-A1 PERFUMED ONE AND TWO PHASE COMPOSITIONS FOR REDUCING BODY ODOR AND METHODS OF USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2000-05-03 EP disclosed
WO-1998056342-A1 PERFUMED ONE AND TWO PHASE COMPOSITIONS FOR REDUCING BODY ODOR AND METHODS OF USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 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 (3 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ ALDH1A1 3560/4885TSHR 4518/4885TTR 1271/4885
US-20050154031-A1 5-Ht2b receptor antagonists HTR2B, HTR3B, HTR7 ALDH1A1 2010/4885TSHR 71/4885TTR 3144/4885
US-20110015409-A1 SYNTHESIS OF CYCLIC CARBONATES NR3C2, NR2C2, NR3C1 ALDH1A1 3200/4885TSHR 624/4885TTR 2552/4885

“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.