SCHEMBL470710

SCHEMBL470710

COc1cc(C(C)=O)ccc1OCCCCl

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MAOB P27338 2/20 0.61
MEN1 O00255 4/20 0.60
PRSS1 P07477 4/20 0.55
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL29842346 1.00 KMT2A (0.66) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL10460872 0.95 KMT2A (0.64) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL10461500 0.94 MAOB (0.64) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL10459166 0.94 MAOB (0.64) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL1544858 0.94 KMT2A (0.62) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL6856717 0.92 KMT2A (0.76) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL4938004 0.90 KMT2A (0.54) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL4001162 0.88 KMT2A (0.66) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL1545176 0.88 PRSS1 (0.55) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL1545237 0.88 TSHR (0.69) PRSS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261308-A1 ONE-POT PROCESS FOR THE SYNTHESIS OF ILOPERIDONE PROCOS. S.p.A. (IT) 2013-10-03 US claimed
EP-2644608-A1 One-pot process for the synthesis of iloperidone Procos S.p.A. (IT) 2013-10-02 EP claimed
US-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-07-25 US claimed
WO-2012153341-A1 A PROCESS FOR THE PREPARATION OF ILOPERIDONE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ARCH PHARMALABS LIMITED (IN) 2012-11-15 WO claimed
WO-2012063269-A2 PROCESS FOR PREPARING ILOPERIDONE CADILA HEALTHCARE LIMITED (IN) 2012-05-18 WO claimed
CN-118146194-A Novel quinoline compound containing 6-oxo-1-substituted phenyl-1, 6-dihydropyridazine-3-carboxamide and application thereof 辽宁大学 2024-06-07 CN disclosed
CN-111646940-B Preparation method of bosutinib intermediate 鲁南制药集团股份有限公司 2024-01-30 CN disclosed
CN-117343046-A Novel 3-oxo-4-substituted aryl-3, 4-dihydropyrazine-2-carboxamide compound and application thereof 辽宁大学 2024-01-05 CN disclosed
CN-111440177-B Substituted pyrazolo [1,5-a ] pyrimidine compound and preparation method and application thereof 辽宁大学 2022-06-14 CN disclosed
CN-111646939-A Preparation method of bosutinib 鲁南制药集团股份有限公司 2020-09-11 CN disclosed
CN-111646940-A Preparation method of bosutinib intermediate 鲁南制药集团股份有限公司 2020-09-11 CN disclosed
CN-111440177-A Novel substituted pyrazolo [1,5-a ] pyrimidine compound and preparation method and application thereof 辽宁大学 2020-07-24 CN disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed
US-4366162-A DEPRESSANT, PSYCHOLOGICAL DISORDERS AB FERROSAN (SE) 1982-12-28 US disclosed
US-4139620-A HYPOTENSIVE AGENTS A. H. ROBINS COMPANY, INC. (US) 1979-02-13 US disclosed
US-4096331-A HYPOTENSIVE A. H. ROBINS COMPANY, INCORPORATED (US) 1978-06-20 US disclosed
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US disclosed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 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 (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-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF CYP4B1, CYP4X1, CYP3A4 KMT2A 1306/4885MAOB 175/4885MEN1 2135/4885
US-20130261308-A1 ONE-POT PROCESS FOR THE SYNTHESIS OF ILOPERIDONE IL2, IL1A, IL4 KMT2A 2900/4885MAOB 1991/4885MEN1 3436/4885

“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.