SCHEMBL4570869

SCHEMBL4570869

CCN(C(C)C)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.43
ADH1C P00326 4/20 0.43
ADH1B P00325 1/20 0.43
SHBG P04278 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
PHGDH O43175 1/20 0.32

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
SCHEMBL13503176 1.00 ADH1A (0.43) ADH1AADH1CADH1BSHBGMEN1
SCHEMBL104547 0.98 ADH1A (0.40) ADH1AADH1CADH1BSHBGMEN1
SCHEMBL12890106 0.95 ADH1A (0.37) ADH1AADH1CADH1B
SCHEMBL12744952 0.87
SCHEMBL20445569 0.84
SCHEMBL13301673 0.83 ADH1A (0.45) ADH1AADH1CADH1BSHBGMEN1
SCHEMBL17914492 0.82 ADH1A (0.41) ADH1AADH1CADH1BSHBGMEN1
SCHEMBL6337808 0.82 ADH1A (0.41) ADH1AADH1CADH1BSHBGMEN1
SCHEMBL17914487 0.82 ADH1A (0.47) ADH1AADH1CADH1BSHBGMEN1
SCHEMBL13503186 0.80 SLC6A2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131271-A1 PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2023-07-13 WO disclosed
US-20210388196-A1 GENE DELIVERY CARRIER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-12-16 US disclosed
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2021-12-09 US disclosed
US-20200338542-A1 PROCESS FOR OLIGOMERIZATION DOW GLOBAL TECHNOLOGIES LLC (US) 2020-10-29 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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 (10 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-20200338542-A1 PROCESS FOR OLIGOMERIZATION OXER1, NOD1, LIG1 ADH1A 3029/4885ADH1C 2213/4885ADH1B 4128/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ADH1A 4327/4885ADH1C 4366/4885ADH1B 4431/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS ADH1A 1620/4885ADH1C 659/4885ADH1B 396/4885
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 ADH1A 577/4885ADH1C 2208/4885ADH1B 649/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT ADH1A 3056/4885ADH1C 3227/4885ADH1B 935/4885
US-20210388196-A1 GENE DELIVERY CARRIER PAICS, PBDC1, BCAT1 ADH1A 3486/4885ADH1C 3864/4885ADH1B 4195/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A ADH1A 278/4885ADH1C 247/4885ADH1B 1968/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS ADH1A 1620/4885ADH1C 659/4885ADH1B 396/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 ADH1A 1234/4885ADH1C 403/4885ADH1B 1321/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 ADH1A 4043/4885ADH1C 4615/4885ADH1B 3453/4885

“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.