SCHEMBL679854

SCHEMBL679854

CC(C#N)=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 5/20 0.48
TSHR P16473 1/20 0.48
AKR1C3 P42330 1/20 0.48
POLB P06746 3/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FBP1 P09467 1/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43

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
SCHEMBL5168254 1.00 MCL1 (0.50) MCL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL762892 1.00 MCL1 (0.50) MCL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13710832 0.88 ALDH1A1 (0.56) MAPTALDH1A1TSHRPOLBLMNA
SCHEMBL6683531 0.84 ALDH1A1 (0.52) MCL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL292450 0.83 MEN1 (0.47) MCL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL292451 0.83 MEN1 (0.47) MCL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13710834 0.82 ALDH1A1 (0.50) MAPTALDH1A1TSHRPOLBLMNA
SCHEMBL13969038 0.82 ALDH1A1 (0.50) MAPTALDH1A1TSHRPOLBLMNA
SCHEMBL13710861 0.82 ALDH1A1 (0.50) MAPTALDH1A1TSHRPOLBLMNA
SCHEMBL13908793 0.80 GABRA1 (0.53) MAPTALDH1A1TSHRPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US claimed
EP-1252203-B1 METHOD FOR PRODUCING A POLYMERIC CONVERSION PRODUCT BASF AG (DE) 2004-03-17 EP claimed
CN-113813792-B Process for producing hypophosphorous acid by bipolar membrane electrodialysis 湖北吉星化工集团有限责任公司 2023-12-01 CN disclosed
CN-113813792-A Process for producing hypophosphorous acid by bipolar membrane electrodialysis 湖北吉星化工集团有限责任公司 2021-12-21 CN disclosed
CN-105742638-B Adhesive for rechargeable lithium ion battery, separator for rechargeable lithium ion battery, and rechargeable lithium ion battery 三星SDI株式会社 2020-08-18 CN disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
US-9717730-B2 Combinations of AKT inhibitor compounds and chemotherapeutic agents, and methods of use GENENTECH, INC. (US) 2017-08-01 US disclosed
US-20170157124-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2017-06-08 US disclosed
US-9610289-B2 Combinations of AKT inhibitor compounds and erlotinib, and methods of use GENENTECH, INC. (US) 2017-04-04 US disclosed
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 US disclosed
US-20160228440-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2016-08-11 US disclosed
EP-1203761-A2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
WO-2001044327-A2 METHOD FOR PRODUCING A POLYMERIC CONVERSION PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed
US-6211244-B1 AROMATIC AMINES FOR COMPLEXING CALCIUM NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
WO-1996012697-A9 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2000-08-24 WO disclosed
US-5859110-A Method of decreasing bleed from organic-based formulations and anti-bleed compostitions JOHNSON MATTHEY, INC. (US) 1999-01-12 US disclosed
EP-0787122-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-08-06 EP disclosed
WO-1996012697-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1996-05-02 WO disclosed
EP-0546115-A1 PEPTIDES CONTAINING AMINO-POLYOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1993-06-16 EP disclosed
US-4576793-A MULTILAYER, POROSITY, SPREADING, UNSATURATED ACID COPOLYMEWR KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-03-18 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 (5 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-20170157124-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE AKT1, AKT2, MTOR MCL1 185/4885RAB9A 789/4885MAPT 2521/4885
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 MCL1 276/4885RAB9A 1697/4885MAPT 3730/4885
US-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA MCL1 3537/4885RAB9A 4431/4885MAPT 322/4885
US-20160228440-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE AKT1, AKT2, MTOR MCL1 185/4885RAB9A 789/4885MAPT 2521/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 MCL1 257/4885RAB9A 1810/4885MAPT 3868/4885

“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.