SCHEMBL576416

SCHEMBL576416

Fc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.67
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
LTA4H P09960 1/20 0.50
IDH1 O75874 1/20 0.48
IDO1 P14902 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 1/20 0.47
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
SLC22A2 O15244 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
P2RX7 Q99572 1/20 0.44

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
SCHEMBL11980113 1.00 CALM1 (0.67) CALM1LMNAMAPK1CASP3SENP7
Hydrochloric Acid SCHEMBL28752835 0.97 CALM1 (0.63) CALM1LMNAMAPK1CASP3SENP7
Hydrochloric Acid SCHEMBL7991379 0.97 CALM1 (0.63) CALM1LMNAMAPK1CASP3SENP7
SCHEMBL16561361 0.88 IDO1 (0.58) CALM1LMNAPLA2G1BATG4BIDO1
SCHEMBL1468357 0.88 IDO1 (0.58) CALM1LMNAPLA2G1BATG4BIDO1
SCHEMBL7940599 0.87 CYP11B1 (0.52) CALM1LMNAMAPK1CASP3SENP7
Hydrochloric Acid SCHEMBL7941845 0.85 IDO1 (0.55) LMNAPLA2G1BATG4BIDO1LOXL2
SCHEMBL972712 0.85 CALM1 (0.92) CALM1LMNALTA4HIDH1IDO1
SCHEMBL8094422 0.85 CALM1 (0.92) CALM1LMNALTA4HIDH1IDO1
SCHEMBL16504800 0.84 LOXL2 (0.50) CALM1LMNAMAPK1CASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106565517-B A method of amide is prepared by arylmethane derivative and nitrile 湖南大学 2018-08-17 CN claimed
CN-106565517-A Method for preparing amide from aryl methane derivative and nitrile 湖南大学 2017-04-19 CN claimed
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 US claimed
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-4404384-A HYPOTENSIVE, ANTISPASMODIC, CHOLERETIC AGENTS; ANTICONUULSANTS; ANTIPYRETICS; ANTHELMINTICS; FUNGICIDWS HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-13 US claimed
CN-118547299-A Method for electrochemical reduction of diaryl ketone 中国科学院大连化学物理研究所 2024-08-27 CN disclosed
CN-113943199-B Method for synthesizing amide compound by using nitrile and diaryl methane as raw materials 浙江工业大学 2023-09-22 CN disclosed
US-20230200225-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
CN-112851608-B Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound 浙江工业大学 2022-07-15 CN disclosed
EP-3943492-A1 TADF MATERIALS COMPRISING 4-(3-(2-(10H-PHENOXAZIN-10-YL)PYRIDIN-5-YL)-9H-CARBAZOL-9-YL)BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN OLEDS Noctiluca S.A. (PL) 2022-01-26 EP disclosed
CN-113943199-A Method for synthesizing amide compound by taking nitrile and diarylmethane as raw materials 浙江工业大学 2022-01-18 CN disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0421823-A2 Novel tetracyclic compounds having anti-allergic and anti-asthmatic activities, their preparation and use Sankyo Company Limited (JP) 1991-04-10 EP disclosed
CN-1050376-A Acyl-CoA: cholesterol acyltransferase inhibitor WARBER LAMBERT CO (US) 1991-04-03 CN disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
US-4874763-A ANTIARRHYTHMIA AGENTS ROEHM GMBH CHEMISCHE FABRIK (DE) 1989-10-17 US disclosed
EP-0334511-A2 Oxidation process SOLVAY INTEROX LIMITED (GB) 1989-09-27 EP disclosed
EP-0318795-A2 Pharmaceutically active pteridin derivatives Röhm GmbH (DE) 1989-06-07 EP 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-20230200225-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT, AND ELECTRONIC DEVICE MNS1, NUMA1, NPM1 CALM1 2540/4885LMNA 3489/4885MAPK1 514/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 CALM1 143/4885LMNA 936/4885MAPK1 3177/4885
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 CALM1 3324/4885LMNA 468/4885MAPK1 3407/4885

“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.